REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2vdh_1_A DATA FIRST_RESID 11 DATA SEQUENCE AGFKAGVKDY RLTYYTPDYV VRDTDILAAF RMTPQPGVPP EECGAAVAAE DATA SEQUENCE SSTGTWTTVW TDGLTSLDRY KGRCYDIEPV PGEDNQYIAY VAYXIDLFEE DATA SEQUENCE GSVTNMFTSI VGNVFGFKAL RALRLEDLRI PPAYVKTFVG XPHGIQVERD DATA SEQUENCE KLNKYGRGLL GSTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP DATA SEQUENCE FMRWRDRFLF VAEAIYKAQA ETGEVKGHYL NATAGTCEEM MKRAVXAKEL DATA SEQUENCE GVPIIMHDYL TGGFTANTSL AIYCRDNGLL LHIHRAMHAV IDRQRNHGIH DATA SEQUENCE FRVLAKALRM SGGDHLHSGT VVGKLEGERE VTLGFVDLMR DDYVEKDRSR DATA SEQUENCE GIYFTQDWXS MPGVMPVASG GIHVWHMPAL VEIFGDDACL QFGGGTLGHP DATA SEQUENCE WGNAPGAAAN RVALEACTQA RNEGRDLARE GGDVIRSAcK WSPELAAAcE DATA SEQUENCE VWKEIKFEFD TIDKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 A HA 0.000 nan 4.320 nan 0.000 0.244 11 A C 0.000 177.619 177.584 0.058 0.000 1.274 11 A CA 0.000 52.057 52.037 0.034 0.000 0.836 11 A CB 0.000 19.016 19.000 0.027 0.000 0.831 12 G N 0.018 108.850 108.800 0.052 0.000 2.527 12 G HA2 0.512 4.472 3.960 -0.000 0.000 0.248 12 G HA3 0.512 4.472 3.960 -0.000 0.000 0.248 12 G C -0.091 174.889 174.900 0.133 0.000 1.231 12 G CA -0.267 44.881 45.100 0.080 0.000 0.838 12 G HN 1.453 nan 8.290 nan 0.000 0.570 13 F N 1.675 121.644 119.950 0.032 0.000 2.571 13 F HA 0.307 4.834 4.527 0.000 0.000 0.384 13 F C 0.554 176.368 175.800 0.024 0.000 1.058 13 F CA -0.409 57.620 58.000 0.049 0.000 1.200 13 F CB 0.672 39.727 39.000 0.092 0.000 1.077 13 F HN 0.210 nan 8.300 nan 0.000 0.558 14 K N 6.585 126.730 120.400 -0.425 0.000 2.449 14 K HA 0.589 4.909 4.320 -0.000 0.000 0.257 14 K C -0.747 175.440 176.600 -0.688 0.000 0.989 14 K CA -0.631 55.333 56.287 -0.538 0.000 0.916 14 K CB 1.080 33.448 32.500 -0.220 0.000 1.136 14 K HN 0.819 nan 8.250 nan 0.000 0.439 15 A N 2.493 124.759 122.820 -0.924 0.000 2.445 15 A HA 0.604 4.924 4.320 -0.000 0.000 0.242 15 A C 0.475 177.925 177.584 -0.223 0.000 1.075 15 A CA 0.880 52.615 52.037 -0.504 0.000 0.777 15 A CB 0.118 18.924 19.000 -0.322 0.000 1.013 15 A HN 0.969 nan 8.150 nan 0.000 0.493 16 G N -0.942 107.778 108.800 -0.133 0.000 2.381 16 G HA2 0.329 4.289 3.960 -0.000 0.000 0.672 16 G HA3 0.329 4.289 3.960 -0.000 0.000 0.672 16 G C -0.980 173.853 174.900 -0.111 0.000 1.324 16 G CA -0.430 44.610 45.100 -0.101 0.000 0.975 16 G HN 1.419 nan 8.290 nan 0.000 0.593 17 V N 1.685 121.561 119.914 -0.064 0.000 2.465 17 V HA 0.636 4.756 4.120 -0.000 0.000 0.279 17 V C 0.707 176.770 176.094 -0.052 0.000 1.045 17 V CA 0.471 62.739 62.300 -0.054 0.000 0.938 17 V CB 1.106 32.967 31.823 0.064 0.000 0.986 17 V HN 1.036 nan 8.190 nan 0.000 0.467 18 K N 2.029 122.379 120.400 -0.085 0.000 2.409 18 K HA 0.621 4.941 4.320 -0.000 0.000 0.252 18 K C -1.302 175.239 176.600 -0.099 0.000 1.036 18 K CA -1.079 55.170 56.287 -0.064 0.000 0.871 18 K CB 1.580 34.052 32.500 -0.046 0.000 1.374 18 K HN 0.323 nan 8.250 nan 0.000 0.459 19 D N 0.846 121.221 120.400 -0.042 0.000 2.443 19 D HA 0.021 4.661 4.640 -0.000 0.000 0.239 19 D C 0.592 176.905 176.300 0.022 0.000 1.136 19 D CA 0.224 54.219 54.000 -0.009 0.000 0.879 19 D CB 0.206 41.030 40.800 0.040 0.000 1.195 19 D HN 0.441 nan 8.370 nan 0.000 0.443 20 Y N 1.280 121.641 120.300 0.102 0.000 2.274 20 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 20 Y C 2.372 178.396 175.900 0.208 0.000 1.145 20 Y CA 1.174 59.377 58.100 0.171 0.000 1.203 20 Y CB -0.230 38.270 38.460 0.067 0.000 0.984 20 Y HN 0.457 nan 8.280 nan 0.000 0.533 21 R N 0.386 121.051 120.500 0.275 0.000 2.241 21 R HA -0.117 4.223 4.340 -0.000 0.000 0.224 21 R C 1.585 178.002 176.300 0.194 0.000 1.101 21 R CA 1.444 57.680 56.100 0.227 0.000 0.995 21 R CB -0.982 29.391 30.300 0.121 0.000 0.870 21 R HN 0.355 nan 8.270 nan 0.000 0.463 22 L N 0.679 121.980 121.223 0.131 0.000 2.201 22 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 22 L C 1.486 178.360 176.870 0.008 0.000 1.105 22 L CA 1.412 56.291 54.840 0.064 0.000 0.775 22 L CB -0.158 41.922 42.059 0.035 0.000 0.913 22 L HN 0.308 nan 8.230 nan 0.000 0.440 23 T N -3.135 111.410 114.554 -0.015 0.000 3.026 23 T HA 0.051 4.401 4.350 -0.000 0.000 0.245 23 T C 1.017 175.490 174.700 -0.379 0.000 1.004 23 T CA 0.285 62.221 62.100 -0.274 0.000 1.069 23 T CB 0.121 68.689 68.868 -0.501 0.000 1.005 23 T HN 0.110 nan 8.240 nan 0.000 0.472 24 Y N -0.321 120.023 120.300 0.073 0.000 2.467 24 Y HA 0.417 4.967 4.550 -0.000 0.000 0.250 24 Y C 0.033 175.985 175.900 0.087 0.000 1.155 24 Y CA -1.179 56.948 58.100 0.045 0.000 1.249 24 Y CB 0.426 38.913 38.460 0.044 0.000 1.146 24 Y HN 0.172 nan 8.280 nan 0.000 0.524 25 Y N 2.246 122.596 120.300 0.084 0.000 2.434 25 Y HA 0.414 4.964 4.550 -0.000 0.000 0.341 25 Y C 0.021 175.940 175.900 0.031 0.000 0.965 25 Y CA -1.484 56.645 58.100 0.048 0.000 1.205 25 Y CB 0.675 39.158 38.460 0.038 0.000 1.121 25 Y HN 0.034 nan 8.280 nan 0.000 0.507 26 T N 5.580 119.942 114.554 -0.320 0.000 3.410 26 T HA 0.281 4.631 4.350 -0.000 0.000 0.328 26 T C -2.365 172.187 174.700 -0.247 0.000 1.567 26 T CA -1.786 60.158 62.100 -0.259 0.000 1.626 26 T CB 1.029 69.823 68.868 -0.123 0.000 0.939 26 T HN 0.458 nan 8.240 nan 0.000 0.656 27 P HA 0.063 nan 4.420 nan 0.000 0.230 27 P C 0.262 177.531 177.300 -0.051 0.000 1.158 27 P CA 0.684 63.620 63.100 -0.274 0.000 0.769 27 P CB 0.249 31.732 31.700 -0.361 0.000 0.807 28 D N -1.869 118.507 120.400 -0.041 0.000 2.340 28 D HA 0.003 4.643 4.640 -0.000 0.000 0.217 28 D C 0.315 176.638 176.300 0.040 0.000 1.081 28 D CA -0.292 53.708 54.000 0.000 0.000 0.842 28 D CB -0.410 40.379 40.800 -0.018 0.000 0.934 28 D HN 0.188 nan 8.370 nan 0.000 0.511 29 Y N 1.886 122.152 120.300 -0.057 0.000 2.526 29 Y HA 0.121 4.671 4.550 -0.000 0.000 0.330 29 Y C -0.147 175.688 175.900 -0.109 0.000 1.156 29 Y CA -0.251 57.804 58.100 -0.075 0.000 1.419 29 Y CB 0.605 39.027 38.460 -0.064 0.000 1.250 29 Y HN -0.334 nan 8.280 nan 0.000 0.540 30 V N 8.649 128.144 119.914 -0.698 0.000 2.348 30 V HA 0.189 4.309 4.120 -0.000 0.000 0.270 30 V C -0.205 175.252 176.094 -1.062 0.000 1.037 30 V CA -0.798 61.115 62.300 -0.644 0.000 0.872 30 V CB 0.631 32.231 31.823 -0.372 0.000 1.002 30 V HN 0.734 nan 8.190 nan 0.000 0.464 31 V N 4.309 123.728 119.914 -0.825 0.000 2.763 31 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 31 V C 0.501 176.358 176.094 -0.396 0.000 1.059 31 V CA -0.437 61.474 62.300 -0.649 0.000 1.138 31 V CB 0.107 31.631 31.823 -0.499 0.000 0.940 31 V HN 0.836 nan 8.190 nan 0.000 0.489 32 R N 2.731 123.089 120.500 -0.236 0.000 2.500 32 R HA 0.305 4.645 4.340 -0.000 0.000 0.275 32 R C 0.351 176.596 176.300 -0.092 0.000 1.051 32 R CA -0.528 55.494 56.100 -0.130 0.000 1.088 32 R CB 0.623 30.895 30.300 -0.047 0.000 1.063 32 R HN 0.776 nan 8.270 nan 0.000 0.511 33 D N 0.408 120.766 120.400 -0.069 0.000 2.348 33 D HA -0.091 4.549 4.640 -0.000 0.000 0.216 33 D C 1.405 177.686 176.300 -0.032 0.000 0.970 33 D CA 1.315 55.285 54.000 -0.051 0.000 0.889 33 D CB 0.150 40.930 40.800 -0.035 0.000 0.912 33 D HN 0.630 nan 8.370 nan 0.000 0.524 34 T N -2.738 111.806 114.554 -0.016 0.000 3.060 34 T HA 0.035 4.385 4.350 -0.000 0.000 0.249 34 T C 0.517 175.223 174.700 0.010 0.000 1.079 34 T CA -0.496 61.608 62.100 0.007 0.000 1.013 34 T CB 0.341 69.226 68.868 0.029 0.000 0.975 34 T HN -0.241 nan 8.240 nan 0.000 0.518 35 D N 1.752 122.154 120.400 0.003 0.000 2.414 35 D HA 0.320 4.960 4.640 -0.000 0.000 0.242 35 D C -0.203 176.086 176.300 -0.019 0.000 1.129 35 D CA -0.375 53.647 54.000 0.035 0.000 0.885 35 D CB 0.631 41.460 40.800 0.049 0.000 1.198 35 D HN 0.193 nan 8.370 nan 0.000 0.437 36 I N 2.216 122.800 120.570 0.024 0.000 2.371 36 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 36 I C 0.053 176.206 176.117 0.061 0.000 1.028 36 I CA -0.119 61.137 61.300 -0.073 0.000 1.345 36 I CB 0.518 38.347 38.000 -0.286 0.000 1.407 36 I HN 0.065 nan 8.210 nan 0.000 0.501 37 L N 6.130 127.255 121.223 -0.162 0.000 2.334 37 L HA 0.885 5.225 4.340 -0.000 0.000 0.276 37 L C -0.094 176.660 176.870 -0.193 0.000 1.014 37 L CA -0.789 53.941 54.840 -0.184 0.000 0.815 37 L CB 1.570 43.286 42.059 -0.572 0.000 1.268 37 L HN 0.654 nan 8.230 nan 0.000 0.428 38 A N 2.016 124.924 122.820 0.148 0.000 2.371 38 A HA 0.865 5.185 4.320 -0.000 0.000 0.311 38 A C -0.641 177.007 177.584 0.108 0.000 1.068 38 A CA -0.538 51.539 52.037 0.067 0.000 0.744 38 A CB 1.680 20.680 19.000 -0.000 0.000 1.239 38 A HN 0.755 nan 8.150 nan 0.000 0.435 39 A N 2.012 124.773 122.820 -0.098 0.000 2.256 39 A HA 0.714 5.034 4.320 -0.000 0.000 0.317 39 A C -1.144 176.084 177.584 -0.594 0.000 1.318 39 A CA -0.262 51.490 52.037 -0.475 0.000 0.894 39 A CB -0.237 18.311 19.000 -0.754 0.000 1.165 39 A HN 0.620 nan 8.150 nan 0.000 0.525 40 F N 1.628 121.379 119.950 -0.332 0.000 2.427 40 F HA 0.447 4.974 4.527 -0.000 0.000 0.346 40 F C 0.939 176.594 175.800 -0.242 0.000 1.120 40 F CA -0.322 57.523 58.000 -0.258 0.000 1.033 40 F CB 1.578 40.437 39.000 -0.234 0.000 1.126 40 F HN 0.605 nan 8.300 nan 0.000 0.462 41 R N 5.326 125.816 120.500 -0.017 0.000 2.210 41 R HA 0.441 4.781 4.340 -0.000 0.000 0.338 41 R C -0.932 175.382 176.300 0.023 0.000 1.062 41 R CA -0.216 55.885 56.100 0.001 0.000 0.902 41 R CB 0.504 30.805 30.300 0.002 0.000 1.050 41 R HN 0.842 nan 8.270 nan 0.000 0.461 42 M N 3.695 123.319 119.600 0.039 0.000 2.321 42 M HA 0.299 4.779 4.480 -0.000 0.000 0.315 42 M C -1.264 175.087 176.300 0.086 0.000 1.052 42 M CA -0.329 54.983 55.300 0.019 0.000 0.936 42 M CB 2.323 34.917 32.600 -0.010 0.000 1.639 42 M HN 0.462 nan 8.290 nan 0.000 0.433 43 T N 6.125 120.714 114.554 0.059 0.000 2.977 43 T HA 0.467 4.817 4.350 -0.000 0.000 0.346 43 T C -2.654 172.087 174.700 0.069 0.000 1.140 43 T CA -1.138 61.012 62.100 0.083 0.000 1.040 43 T CB 0.773 69.680 68.868 0.066 0.000 1.046 43 T HN 0.413 nan 8.240 nan 0.000 0.494 44 P HA 0.169 nan 4.420 nan 0.000 0.274 44 P C 0.079 177.407 177.300 0.047 0.000 1.237 44 P CA -0.638 62.487 63.100 0.042 0.000 0.793 44 P CB 0.582 32.297 31.700 0.025 0.000 0.977 45 Q N 2.087 121.907 119.800 0.033 0.000 2.421 45 Q HA 0.161 4.501 4.340 -0.000 0.000 0.255 45 Q C -1.910 174.108 176.000 0.031 0.000 1.013 45 Q CA -1.367 54.456 55.803 0.032 0.000 0.895 45 Q CB -0.566 28.189 28.738 0.029 0.000 1.271 45 Q HN 0.362 nan 8.270 nan 0.000 0.460 46 P HA -0.050 nan 4.420 nan 0.000 0.264 46 P C 0.477 177.789 177.300 0.021 0.000 1.193 46 P CA 0.872 63.988 63.100 0.027 0.000 0.763 46 P CB 0.301 32.014 31.700 0.023 0.000 0.810 47 G N 1.474 110.285 108.800 0.018 0.000 2.176 47 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.253 47 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.253 47 G C -0.145 174.758 174.900 0.006 0.000 0.979 47 G CA -0.119 44.988 45.100 0.012 0.000 0.641 47 G HN 0.540 nan 8.290 nan 0.000 0.530 48 V N 2.242 122.156 119.914 0.001 0.000 2.328 48 V HA 0.460 4.580 4.120 -0.000 0.000 0.278 48 V C -1.631 174.430 176.094 -0.055 0.000 1.021 48 V CA -1.665 60.626 62.300 -0.015 0.000 0.838 48 V CB 1.504 33.324 31.823 -0.004 0.000 0.999 48 V HN 0.126 nan 8.190 nan 0.000 0.447 49 P HA 0.172 nan 4.420 nan 0.000 0.269 49 P C -2.059 175.096 177.300 -0.241 0.000 1.209 49 P CA -1.165 61.850 63.100 -0.142 0.000 0.776 49 P CB 0.227 31.851 31.700 -0.127 0.000 0.876 50 P HA -0.195 nan 4.420 nan 0.000 0.216 50 P C 1.061 178.087 177.300 -0.458 0.000 1.150 50 P CA 1.535 64.283 63.100 -0.587 0.000 0.843 50 P CB 0.055 31.131 31.700 -1.040 0.000 0.787 51 E N -0.579 119.333 120.200 -0.481 0.000 2.110 51 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 51 E C 2.022 178.368 176.600 -0.423 0.000 0.988 51 E CA 1.113 57.105 56.400 -0.680 0.000 0.804 51 E CB -0.615 28.564 29.700 -0.867 0.000 0.745 51 E HN 0.267 nan 8.360 nan 0.000 0.458 52 E N 0.020 120.071 120.200 -0.249 0.000 2.107 52 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 52 E C 1.858 178.385 176.600 -0.121 0.000 0.982 52 E CA 0.903 57.243 56.400 -0.099 0.000 0.809 52 E CB -0.532 29.150 29.700 -0.030 0.000 0.756 52 E HN 0.287 nan 8.360 nan 0.000 0.459 53 C N -0.304 118.887 119.300 -0.182 0.000 2.446 53 C HA 0.080 4.540 4.460 -0.000 0.000 0.277 53 C C 2.670 177.485 174.990 -0.292 0.000 1.275 53 C CA 1.341 60.229 59.018 -0.218 0.000 1.727 53 C CB -1.376 26.250 27.740 -0.190 0.000 2.010 53 C HN 0.645 nan 8.230 nan 0.000 0.486 54 G N -0.115 108.527 108.800 -0.264 0.000 2.418 54 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.217 54 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.217 54 G C 1.938 176.713 174.900 -0.209 0.000 1.158 54 G CA 1.056 46.016 45.100 -0.233 0.000 0.771 54 G HN 0.706 nan 8.290 nan 0.000 0.545 55 A N 1.098 123.831 122.820 -0.144 0.000 1.933 55 A HA 0.301 4.621 4.320 -0.000 0.000 0.218 55 A C 2.792 180.187 177.584 -0.316 0.000 1.175 55 A CA 2.135 54.146 52.037 -0.044 0.000 0.628 55 A CB -0.684 18.395 19.000 0.132 0.000 0.814 55 A HN 0.739 nan 8.150 nan 0.000 0.444 56 A N -0.562 121.925 122.820 -0.555 0.000 1.898 56 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 56 A C 2.220 179.202 177.584 -1.003 0.000 1.181 56 A CA 1.712 53.032 52.037 -1.195 0.000 0.620 56 A CB -0.866 17.527 19.000 -1.011 0.000 0.819 56 A HN 0.361 nan 8.150 nan 0.000 0.442 57 V N -0.101 119.367 119.914 -0.743 0.000 2.295 57 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 57 V C 3.071 178.850 176.094 -0.526 0.000 1.049 57 V CA 1.948 63.815 62.300 -0.723 0.000 1.024 57 V CB -1.254 30.075 31.823 -0.824 0.000 0.648 57 V HN 0.614 nan 8.190 nan 0.000 0.447 58 A N -0.026 122.553 122.820 -0.401 0.000 1.883 58 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 58 A C 2.423 179.799 177.584 -0.348 0.000 1.186 58 A CA 2.299 54.181 52.037 -0.259 0.000 0.624 58 A CB -0.836 18.089 19.000 -0.124 0.000 0.822 58 A HN 0.574 nan 8.150 nan 0.000 0.444 59 A N -0.531 121.875 122.820 -0.689 0.000 1.858 59 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 59 A C 1.856 179.124 177.584 -0.527 0.000 1.190 59 A CA 1.543 52.918 52.037 -1.103 0.000 0.617 59 A CB -0.405 17.814 19.000 -1.301 0.000 0.827 59 A HN 0.479 nan 8.150 nan 0.000 0.443 60 E N 0.316 120.229 120.200 -0.477 0.000 2.502 60 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 60 E C 1.293 177.814 176.600 -0.131 0.000 1.062 60 E CA 0.831 57.078 56.400 -0.254 0.000 0.867 60 E CB -0.029 29.458 29.700 -0.354 0.000 0.888 60 E HN 0.703 nan 8.360 nan 0.000 0.510 61 S N -0.883 114.750 115.700 -0.112 0.000 2.568 61 S HA 0.140 4.610 4.470 -0.000 0.000 0.232 61 S C 1.308 175.974 174.600 0.110 0.000 0.975 61 S CA 0.241 58.464 58.200 0.039 0.000 0.949 61 S CB 0.323 63.607 63.200 0.139 0.000 0.829 61 S HN 0.139 nan 8.310 nan 0.000 0.479 62 S N 1.394 117.122 115.700 0.047 0.000 4.640 62 S HA 0.165 4.635 4.470 -0.000 0.000 0.157 62 S C 1.355 175.969 174.600 0.023 0.000 0.963 62 S CA 0.597 58.841 58.200 0.074 0.000 1.235 62 S CB -0.222 63.083 63.200 0.175 0.000 1.848 62 S HN 0.525 nan 8.310 nan 0.000 0.751 63 T N -0.913 113.672 114.554 0.050 0.000 2.958 63 T HA 0.486 4.836 4.350 -0.000 0.000 0.256 63 T C 0.826 175.570 174.700 0.073 0.000 0.983 63 T CA 0.425 62.569 62.100 0.075 0.000 0.924 63 T CB 0.130 69.096 68.868 0.163 0.000 1.136 63 T HN 0.751 nan 8.240 nan 0.000 0.506 64 G N 0.292 109.097 108.800 0.008 0.000 2.434 64 G HA2 0.563 4.522 3.960 -0.000 0.000 0.330 64 G HA3 0.563 4.522 3.960 -0.000 0.000 0.330 64 G C -0.831 174.122 174.900 0.087 0.000 1.155 64 G CA -0.272 44.860 45.100 0.053 0.000 0.917 64 G HN 0.270 nan 8.290 nan 0.000 0.493 65 T N -0.888 113.746 114.554 0.133 0.000 2.676 65 T HA 0.428 4.778 4.350 -0.000 0.000 0.269 65 T C 0.700 175.526 174.700 0.210 0.000 0.952 65 T CA -0.480 61.742 62.100 0.204 0.000 1.040 65 T CB 0.771 69.715 68.868 0.127 0.000 1.352 65 T HN 0.673 nan 8.240 nan 0.000 0.554 66 W N 0.646 122.034 121.300 0.146 0.000 2.678 66 W HA 0.305 4.965 4.660 -0.000 0.000 0.256 66 W C 0.315 176.807 176.519 -0.045 0.000 1.280 66 W CA 0.359 57.747 57.345 0.072 0.000 1.345 66 W CB -1.012 28.512 29.460 0.106 0.000 1.118 66 W HN 0.527 nan 8.180 nan 0.000 0.629 67 T N 0.872 114.972 114.554 -0.758 0.000 2.883 67 T HA 0.336 4.686 4.350 -0.000 0.000 0.296 67 T C -0.478 173.992 174.700 -0.384 0.000 1.117 67 T CA -0.314 61.362 62.100 -0.705 0.000 1.006 67 T CB 1.858 69.940 68.868 -1.310 0.000 1.191 67 T HN -0.223 nan 8.240 nan 0.000 0.508 68 T N 2.565 117.004 114.554 -0.191 0.000 2.870 68 T HA 0.453 4.803 4.350 -0.000 0.000 0.300 68 T C 0.212 174.969 174.700 0.095 0.000 0.989 68 T CA -0.355 61.739 62.100 -0.009 0.000 1.139 68 T CB 0.169 69.075 68.868 0.064 0.000 0.920 68 T HN 0.660 nan 8.240 nan 0.000 0.537 69 V N 3.012 122.947 119.914 0.035 0.000 2.581 69 V HA 0.492 4.612 4.120 -0.000 0.000 0.303 69 V C 1.165 177.126 176.094 -0.223 0.000 1.041 69 V CA -1.155 61.087 62.300 -0.096 0.000 0.907 69 V CB 1.343 33.023 31.823 -0.237 0.000 0.994 69 V HN 1.051 nan 8.190 nan 0.000 0.442 70 W N 2.414 123.296 121.300 -0.696 0.000 2.467 70 W HA -0.084 4.575 4.660 -0.000 0.000 0.275 70 W C 1.427 177.718 176.519 -0.380 0.000 1.239 70 W CA 1.397 58.172 57.345 -0.950 0.000 1.266 70 W CB -1.608 26.971 29.460 -1.469 0.000 1.112 70 W HN 0.748 nan 8.180 nan 0.000 0.576 71 T N -0.957 112.979 114.554 -1.029 0.000 3.007 71 T HA -0.199 4.151 4.350 -0.000 0.000 0.270 71 T C 1.111 175.586 174.700 -0.375 0.000 1.107 71 T CA 1.520 63.050 62.100 -0.949 0.000 1.118 71 T CB -0.608 67.615 68.868 -1.074 0.000 0.889 71 T HN -0.092 nan 8.240 nan 0.000 0.506 72 D N 2.143 122.399 120.400 -0.240 0.000 2.172 72 D HA -0.069 4.571 4.640 -0.000 0.000 0.196 72 D C 2.330 178.611 176.300 -0.031 0.000 0.999 72 D CA 1.499 55.443 54.000 -0.092 0.000 0.856 72 D CB -0.935 39.847 40.800 -0.031 0.000 0.934 72 D HN 0.603 nan 8.370 nan 0.000 0.453 73 G N 0.016 108.817 108.800 0.002 0.000 2.509 73 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 73 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 73 G C 1.602 176.532 174.900 0.049 0.000 1.124 73 G CA 0.049 45.180 45.100 0.052 0.000 0.776 73 G HN 0.280 nan 8.290 nan 0.000 0.547 74 L N -0.341 120.895 121.223 0.022 0.000 2.418 74 L HA 0.161 4.501 4.340 -0.000 0.000 0.218 74 L C 1.713 178.593 176.870 0.017 0.000 1.125 74 L CA 0.440 55.295 54.840 0.026 0.000 0.835 74 L CB 0.043 42.102 42.059 -0.001 0.000 0.953 74 L HN 0.217 nan 8.230 nan 0.000 0.454 75 T N -2.354 112.209 114.554 0.014 0.000 2.718 75 T HA 0.289 4.639 4.350 -0.000 0.000 0.267 75 T C -0.417 174.337 174.700 0.090 0.000 0.957 75 T CA -0.453 61.686 62.100 0.064 0.000 1.025 75 T CB 1.941 70.834 68.868 0.041 0.000 1.355 75 T HN -0.117 nan 8.240 nan 0.000 0.572 76 S N 1.619 117.417 115.700 0.164 0.000 2.601 76 S HA 0.356 4.826 4.470 -0.000 0.000 0.312 76 S C 0.872 175.535 174.600 0.104 0.000 1.107 76 S CA -0.707 57.541 58.200 0.081 0.000 1.129 76 S CB 0.306 63.507 63.200 0.002 0.000 0.982 76 S HN 0.570 nan 8.310 nan 0.000 0.469 77 L N 4.304 125.564 121.223 0.061 0.000 2.083 77 L HA -0.002 4.338 4.340 -0.000 0.000 0.209 77 L C 1.750 178.604 176.870 -0.028 0.000 1.083 77 L CA 1.937 56.804 54.840 0.044 0.000 0.752 77 L CB -0.484 41.566 42.059 -0.015 0.000 0.899 77 L HN 0.600 nan 8.230 nan 0.000 0.433 78 D N -0.950 119.408 120.400 -0.071 0.000 2.158 78 D HA -0.243 4.397 4.640 -0.000 0.000 0.197 78 D C 2.304 178.519 176.300 -0.142 0.000 0.995 78 D CA 1.149 55.084 54.000 -0.108 0.000 0.846 78 D CB -0.112 40.635 40.800 -0.088 0.000 0.941 78 D HN 0.319 nan 8.370 nan 0.000 0.456 79 R N -0.889 119.487 120.500 -0.207 0.000 2.115 79 R HA -0.107 4.233 4.340 -0.000 0.000 0.226 79 R C 1.393 177.425 176.300 -0.446 0.000 1.100 79 R CA 1.013 56.876 56.100 -0.395 0.000 0.980 79 R CB 0.033 29.946 30.300 -0.645 0.000 0.875 79 R HN 0.227 nan 8.270 nan 0.000 0.445 80 Y N 0.535 120.818 120.300 -0.029 0.000 2.498 80 Y HA 0.148 4.698 4.550 0.000 0.000 0.259 80 Y C 0.176 176.074 175.900 -0.003 0.000 1.086 80 Y CA -0.230 57.858 58.100 -0.020 0.000 1.287 80 Y CB 0.202 38.648 38.460 -0.024 0.000 1.146 80 Y HN -0.058 nan 8.280 nan 0.000 0.523 81 K N 1.233 121.701 120.400 0.114 0.000 2.382 81 K HA 0.327 4.647 4.320 -0.000 0.000 0.275 81 K C 0.609 177.253 176.600 0.073 0.000 1.009 81 K CA 0.060 56.433 56.287 0.143 0.000 0.970 81 K CB 0.641 33.168 32.500 0.046 0.000 0.934 81 K HN 0.132 nan 8.250 nan 0.000 0.479 82 G N 2.481 111.356 108.800 0.125 0.000 2.527 82 G HA2 0.214 4.174 3.960 -0.000 0.000 0.248 82 G HA3 0.214 4.174 3.960 -0.000 0.000 0.248 82 G C -0.791 174.090 174.900 -0.032 0.000 1.231 82 G CA -0.871 44.184 45.100 -0.074 0.000 0.838 82 G HN 0.654 nan 8.290 nan 0.000 0.570 83 R N 0.333 120.738 120.500 -0.157 0.000 2.502 83 R HA 0.257 4.597 4.340 -0.000 0.000 0.298 83 R C -1.034 175.297 176.300 0.052 0.000 1.018 83 R CA -0.630 55.418 56.100 -0.086 0.000 0.899 83 R CB 1.713 31.807 30.300 -0.343 0.000 1.181 83 R HN 0.528 nan 8.270 nan 0.000 0.444 84 C N 5.317 124.674 119.300 0.096 0.000 2.520 84 C HA 0.184 4.644 4.460 -0.000 0.000 0.369 84 C C 1.054 176.155 174.990 0.186 0.000 1.244 84 C CA -0.385 58.716 59.018 0.139 0.000 1.677 84 C CB -1.206 26.636 27.740 0.171 0.000 2.324 84 C HN 0.977 nan 8.230 nan 0.000 0.557 85 Y N 1.935 122.326 120.300 0.151 0.000 2.444 85 Y HA 0.529 5.079 4.550 -0.000 0.000 0.249 85 Y C 0.212 176.187 175.900 0.126 0.000 1.134 85 Y CA -0.446 57.718 58.100 0.106 0.000 1.261 85 Y CB 0.022 38.600 38.460 0.196 0.000 1.143 85 Y HN 0.512 nan 8.280 nan 0.000 0.523 86 D N 0.547 120.869 120.400 -0.131 0.000 2.836 86 D HA 0.447 5.087 4.640 -0.000 0.000 0.215 86 D C -1.669 174.737 176.300 0.175 0.000 1.255 86 D CA -0.365 53.638 54.000 0.006 0.000 0.822 86 D CB 1.921 42.605 40.800 -0.193 0.000 1.656 86 D HN 0.181 nan 8.370 nan 0.000 0.511 87 I N 2.107 122.803 120.570 0.211 0.000 2.478 87 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 87 I C -0.361 175.889 176.117 0.222 0.000 1.042 87 I CA -0.670 60.750 61.300 0.199 0.000 1.067 87 I CB 2.125 40.169 38.000 0.074 0.000 1.233 87 I HN 0.201 nan 8.210 nan 0.000 0.431 88 E N 8.125 128.490 120.200 0.276 0.000 2.158 88 E HA 0.452 4.802 4.350 -0.000 0.000 0.271 88 E C -2.476 174.264 176.600 0.235 0.000 0.911 88 E CA -2.121 54.427 56.400 0.246 0.000 0.767 88 E CB 2.010 31.898 29.700 0.314 0.000 1.120 88 E HN 0.219 nan 8.360 nan 0.000 0.405 89 P HA 0.043 nan 4.420 nan 0.000 0.275 89 P C -0.604 176.685 177.300 -0.018 0.000 1.228 89 P CA -0.319 62.817 63.100 0.061 0.000 0.786 89 P CB 0.998 32.730 31.700 0.054 0.000 0.927 90 V N 4.925 124.764 119.914 -0.125 0.000 2.383 90 V HA 0.225 4.345 4.120 -0.000 0.000 0.275 90 V C -1.754 174.296 176.094 -0.073 0.000 1.036 90 V CA -1.755 60.501 62.300 -0.075 0.000 0.889 90 V CB 0.759 32.535 31.823 -0.079 0.000 0.985 90 V HN 0.576 nan 8.190 nan 0.000 0.459 91 P HA 0.267 nan 4.420 nan 0.000 0.271 91 P C 0.783 178.066 177.300 -0.030 0.000 1.226 91 P CA 0.739 63.821 63.100 -0.031 0.000 0.765 91 P CB 1.130 32.819 31.700 -0.019 0.000 0.835 92 G N 1.714 110.495 108.800 -0.031 0.000 2.176 92 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.232 92 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.232 92 G C -0.194 174.687 174.900 -0.032 0.000 0.986 92 G CA -0.340 44.746 45.100 -0.023 0.000 0.643 92 G HN 0.566 nan 8.290 nan 0.000 0.522 93 E N 0.339 120.504 120.200 -0.058 0.000 2.272 93 E HA 0.349 4.699 4.350 -0.000 0.000 0.269 93 E C -0.114 176.421 176.600 -0.109 0.000 0.877 93 E CA -0.714 55.640 56.400 -0.077 0.000 0.755 93 E CB 1.541 31.183 29.700 -0.096 0.000 1.192 93 E HN 0.134 nan 8.360 nan 0.000 0.422 94 D N 0.886 121.238 120.400 -0.081 0.000 2.194 94 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 94 D C 0.730 176.964 176.300 -0.110 0.000 0.964 94 D CA 1.010 54.966 54.000 -0.072 0.000 0.846 94 D CB 0.390 41.172 40.800 -0.029 0.000 0.962 94 D HN 0.245 nan 8.370 nan 0.000 0.490 95 N N -0.094 118.529 118.700 -0.128 0.000 2.466 95 N HA 0.038 4.778 4.740 -0.000 0.000 0.272 95 N C -1.087 174.330 175.510 -0.154 0.000 1.455 95 N CA -0.041 52.955 53.050 -0.091 0.000 0.875 95 N CB 0.644 39.142 38.487 0.018 0.000 1.372 95 N HN -0.049 nan 8.380 nan 0.000 0.492 96 Q N 0.274 119.851 119.800 -0.371 0.000 2.342 96 Q HA 0.419 4.758 4.340 -0.000 0.000 0.267 96 Q C -1.474 174.188 176.000 -0.563 0.000 1.038 96 Q CA -0.676 54.957 55.803 -0.282 0.000 0.832 96 Q CB 1.924 30.582 28.738 -0.132 0.000 1.323 96 Q HN 0.229 nan 8.270 nan 0.000 0.448 97 Y N 1.106 121.404 120.300 -0.003 0.000 2.492 97 Y HA 0.397 4.947 4.550 -0.000 0.000 0.346 97 Y C -0.397 175.494 175.900 -0.015 0.000 0.997 97 Y CA -1.093 57.005 58.100 -0.002 0.000 1.025 97 Y CB 1.402 39.852 38.460 -0.017 0.000 1.263 97 Y HN 0.419 nan 8.280 nan 0.000 0.454 98 I N 2.934 123.587 120.570 0.138 0.000 2.301 98 I HA 0.419 4.589 4.170 -0.000 0.000 0.292 98 I C 0.223 176.321 176.117 -0.031 0.000 1.046 98 I CA -0.556 60.741 61.300 -0.005 0.000 1.282 98 I CB 0.273 38.259 38.000 -0.024 0.000 1.409 98 I HN 0.699 nan 8.210 nan 0.000 0.484 99 A N 7.520 130.294 122.820 -0.075 0.000 2.274 99 A HA 0.614 4.934 4.320 -0.000 0.000 0.309 99 A C -1.147 176.359 177.584 -0.130 0.000 1.226 99 A CA -0.344 51.673 52.037 -0.034 0.000 0.853 99 A CB 0.293 19.278 19.000 -0.024 0.000 1.146 99 A HN 0.540 nan 8.150 nan 0.000 0.518 100 Y N 1.608 121.860 120.300 -0.079 0.000 2.331 100 Y HA 0.489 5.039 4.550 -0.000 0.000 0.338 100 Y C 0.072 175.826 175.900 -0.243 0.000 0.992 100 Y CA -0.375 57.612 58.100 -0.189 0.000 1.121 100 Y CB 1.890 40.017 38.460 -0.555 0.000 1.184 100 Y HN 0.399 nan 8.280 nan 0.000 0.469 101 V N 3.003 123.041 119.914 0.206 0.000 2.604 101 V HA 0.817 4.937 4.120 -0.000 0.000 0.305 101 V C -0.405 175.810 176.094 0.202 0.000 1.043 101 V CA -1.054 61.331 62.300 0.141 0.000 0.888 101 V CB 1.683 33.525 31.823 0.031 0.000 0.995 101 V HN 0.837 nan 8.190 nan 0.000 0.429 102 A N 4.071 126.967 122.820 0.128 0.000 2.318 102 A HA 0.900 5.220 4.320 -0.000 0.000 0.324 102 A C -1.358 176.115 177.584 -0.185 0.000 1.170 102 A CA -0.350 51.729 52.037 0.071 0.000 0.810 102 A CB 0.686 19.772 19.000 0.142 0.000 1.198 102 A HN 0.723 nan 8.150 nan 0.000 0.484 106 D N 1.622 122.110 120.400 0.147 0.000 2.309 106 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 106 D C 2.015 178.356 176.300 0.069 0.000 0.968 106 D CA 1.193 55.280 54.000 0.146 0.000 0.882 106 D CB 0.050 40.990 40.800 0.233 0.000 0.918 106 D HN 0.435 nan 8.370 nan 0.000 0.503 107 L N -0.894 120.284 121.223 -0.074 0.000 2.395 107 L HA 0.021 4.361 4.340 -0.000 0.000 0.218 107 L C 0.162 176.686 176.870 -0.577 0.000 1.130 107 L CA 0.357 54.948 54.840 -0.415 0.000 0.826 107 L CB -0.104 41.534 42.059 -0.701 0.000 0.941 107 L HN -0.102 nan 8.230 nan 0.000 0.451 108 F N -0.438 119.472 119.950 -0.067 0.000 2.480 108 F HA 0.303 4.830 4.527 -0.000 0.000 0.329 108 F C 0.607 176.435 175.800 0.047 0.000 1.091 108 F CA -1.121 56.834 58.000 -0.075 0.000 0.972 108 F CB 1.123 39.908 39.000 -0.358 0.000 1.150 108 F HN -0.193 nan 8.300 nan 0.000 0.467 109 E N 1.951 122.312 120.200 0.269 0.000 2.324 109 E HA 0.109 4.459 4.350 -0.000 0.000 0.271 109 E C -0.751 175.993 176.600 0.241 0.000 1.028 109 E CA -0.527 55.986 56.400 0.189 0.000 0.890 109 E CB 0.529 30.295 29.700 0.111 0.000 1.004 109 E HN 0.505 nan 8.360 nan 0.000 0.431 110 E N 2.657 122.939 120.200 0.137 0.000 2.529 110 E HA 0.132 4.482 4.350 -0.000 0.000 0.259 110 E C 0.939 177.320 176.600 -0.366 0.000 0.966 110 E CA 1.366 57.739 56.400 -0.045 0.000 0.937 110 E CB 0.475 30.148 29.700 -0.045 0.000 0.923 110 E HN 0.817 nan 8.360 nan 0.000 0.468 111 G N 2.606 110.781 108.800 -1.043 0.000 2.168 111 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.263 111 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.263 111 G C 0.354 174.804 174.900 -0.751 0.000 0.977 111 G CA 0.464 44.744 45.100 -1.367 0.000 0.659 111 G HN 0.570 nan 8.290 nan 0.000 0.533 112 S N -0.365 115.132 115.700 -0.338 0.000 2.532 112 S HA 0.543 5.013 4.470 -0.000 0.000 0.318 112 S C 1.509 176.282 174.600 0.287 0.000 1.083 112 S CA 0.110 58.351 58.200 0.068 0.000 1.131 112 S CB 1.287 64.534 63.200 0.078 0.000 0.973 112 S HN 0.567 nan 8.310 nan 0.000 0.468 113 V N 4.925 125.009 119.914 0.284 0.000 2.407 113 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 113 V C 2.590 178.626 176.094 -0.098 0.000 1.055 113 V CA 2.402 64.707 62.300 0.007 0.000 1.049 113 V CB -1.058 30.507 31.823 -0.430 0.000 0.662 113 V HN 0.843 nan 8.190 nan 0.000 0.455 114 T N 0.144 114.675 114.554 -0.038 0.000 2.635 114 T HA -0.279 4.071 4.350 -0.000 0.000 0.267 114 T C 1.931 176.717 174.700 0.144 0.000 1.040 114 T CA 2.072 64.205 62.100 0.055 0.000 1.156 114 T CB -0.509 68.425 68.868 0.110 0.000 0.863 114 T HN 0.582 nan 8.240 nan 0.000 0.430 115 N N 0.457 119.260 118.700 0.171 0.000 2.120 115 N HA -0.092 4.648 4.740 -0.000 0.000 0.188 115 N C 2.129 177.811 175.510 0.286 0.000 1.024 115 N CA 1.227 54.397 53.050 0.201 0.000 0.852 115 N CB -0.234 38.373 38.487 0.199 0.000 1.003 115 N HN 0.398 nan 8.380 nan 0.000 0.424 116 M N -0.245 119.576 119.600 0.369 0.000 2.080 116 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 116 M C 1.601 178.057 176.300 0.260 0.000 1.068 116 M CA 1.641 57.163 55.300 0.370 0.000 1.109 116 M CB -0.187 32.564 32.600 0.251 0.000 1.342 116 M HN 0.055 nan 8.290 nan 0.000 0.405 117 F N 0.364 120.324 119.950 0.016 0.000 2.134 117 F HA -0.171 4.357 4.527 0.000 0.000 0.299 117 F C 2.508 178.339 175.800 0.052 0.000 1.097 117 F CA 1.865 59.869 58.000 0.008 0.000 1.264 117 F CB -1.161 37.824 39.000 -0.025 0.000 1.001 117 F HN 0.184 nan 8.300 nan 0.000 0.479 118 T N -1.178 113.522 114.554 0.243 0.000 2.720 118 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 118 T C 2.319 177.080 174.700 0.102 0.000 1.037 118 T CA 1.716 63.909 62.100 0.155 0.000 1.144 118 T CB -0.450 68.492 68.868 0.124 0.000 0.864 118 T HN 0.155 nan 8.240 nan 0.000 0.444 119 S N 0.826 116.571 115.700 0.075 0.000 2.329 119 S HA 0.084 4.554 4.470 -0.000 0.000 0.215 119 S C 2.080 176.690 174.600 0.017 0.000 1.031 119 S CA 0.844 59.045 58.200 0.002 0.000 0.985 119 S CB -0.337 62.794 63.200 -0.114 0.000 0.917 119 S HN 0.395 nan 8.310 nan 0.000 0.441 120 I N 1.467 122.030 120.570 -0.011 0.000 2.315 120 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 120 I C 1.677 177.931 176.117 0.229 0.000 1.117 120 I CA 1.041 62.354 61.300 0.021 0.000 1.404 120 I CB -0.117 37.795 38.000 -0.147 0.000 1.071 120 I HN 0.258 nan 8.210 nan 0.000 0.419 121 V N -2.893 117.106 119.914 0.142 0.000 3.276 121 V HA 0.463 4.583 4.120 -0.000 0.000 0.319 121 V C 1.637 177.841 176.094 0.184 0.000 1.427 121 V CA 0.278 62.724 62.300 0.244 0.000 1.102 121 V CB -0.396 31.384 31.823 -0.072 0.000 1.020 121 V HN 0.234 nan 8.190 nan 0.000 0.456 122 G N 1.908 110.808 108.800 0.166 0.000 2.511 122 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 122 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 122 G C 1.221 176.221 174.900 0.168 0.000 1.218 122 G CA 1.480 46.666 45.100 0.142 0.000 0.788 122 G HN 0.550 nan 8.290 nan 0.000 0.560 123 N N -0.508 118.310 118.700 0.197 0.000 2.382 123 N HA 0.004 4.744 4.740 -0.000 0.000 0.200 123 N C 2.291 177.995 175.510 0.323 0.000 1.122 123 N CA 0.886 54.078 53.050 0.237 0.000 0.870 123 N CB 0.318 38.944 38.487 0.232 0.000 1.176 123 N HN 0.279 nan 8.380 nan 0.000 0.474 124 V N -1.013 119.033 119.914 0.219 0.000 2.568 124 V HA -0.090 4.030 4.120 -0.000 0.000 0.253 124 V C 1.648 177.782 176.094 0.067 0.000 1.072 124 V CA 1.350 63.647 62.300 -0.005 0.000 1.084 124 V CB -1.187 30.423 31.823 -0.356 0.000 0.676 124 V HN -0.058 nan 8.190 nan 0.000 0.469 125 F N 2.327 122.325 119.950 0.080 0.000 2.604 125 F HA 0.312 4.839 4.527 0.000 0.000 0.298 125 F C 2.306 178.228 175.800 0.204 0.000 1.131 125 F CA 1.078 59.149 58.000 0.120 0.000 1.457 125 F CB -0.597 38.462 39.000 0.099 0.000 1.095 125 F HN 0.342 nan 8.300 nan 0.000 0.574 126 G N -1.704 107.309 108.800 0.355 0.000 3.126 126 G HA2 0.034 3.994 3.960 -0.000 0.000 0.224 126 G HA3 0.034 3.994 3.960 -0.000 0.000 0.224 126 G C 0.136 175.134 174.900 0.163 0.000 1.142 126 G CA -0.217 45.019 45.100 0.228 0.000 0.759 126 G HN 0.011 nan 8.290 nan 0.000 0.550 127 F N 1.647 121.608 119.950 0.019 0.000 2.602 127 F HA 0.172 4.699 4.527 -0.000 0.000 0.385 127 F C 1.783 177.576 175.800 -0.011 0.000 1.063 127 F CA 0.192 58.183 58.000 -0.016 0.000 1.233 127 F CB 1.030 39.990 39.000 -0.067 0.000 1.067 127 F HN -0.038 nan 8.300 nan 0.000 0.564 128 K N 2.806 123.207 120.400 0.001 0.000 2.152 128 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 128 K C 1.977 178.614 176.600 0.062 0.000 1.048 128 K CA 1.352 57.645 56.287 0.009 0.000 0.933 128 K CB -0.156 32.315 32.500 -0.049 0.000 0.721 128 K HN 0.721 nan 8.250 nan 0.000 0.447 129 A N 1.081 123.976 122.820 0.125 0.000 2.168 129 A HA 0.001 4.321 4.320 -0.000 0.000 0.215 129 A C 0.731 178.354 177.584 0.065 0.000 1.152 129 A CA 0.573 52.674 52.037 0.106 0.000 0.716 129 A CB -0.486 18.607 19.000 0.155 0.000 0.794 129 A HN 0.237 nan 8.150 nan 0.000 0.465 130 L N -5.779 115.487 121.223 0.072 0.000 2.333 130 L HA 0.681 5.021 4.340 -0.000 0.000 0.269 130 L C 0.593 177.497 176.870 0.057 0.000 1.010 130 L CA -0.786 54.076 54.840 0.037 0.000 0.818 130 L CB 1.338 43.387 42.059 -0.017 0.000 1.306 130 L HN -0.035 nan 8.230 nan 0.000 0.430 131 R N 1.160 121.693 120.500 0.054 0.000 2.206 131 R HA 0.677 5.017 4.340 -0.000 0.000 0.198 131 R C -0.080 176.272 176.300 0.087 0.000 0.986 131 R CA 0.626 56.760 56.100 0.056 0.000 1.029 131 R CB 0.523 30.850 30.300 0.044 0.000 0.966 131 R HN 0.848 nan 8.270 nan 0.000 0.487 132 A N 0.840 123.737 122.820 0.129 0.000 2.594 132 A HA 0.579 4.899 4.320 -0.000 0.000 0.296 132 A C -2.091 175.590 177.584 0.162 0.000 1.061 132 A CA -0.631 51.569 52.037 0.273 0.000 0.689 132 A CB 1.646 20.775 19.000 0.216 0.000 1.280 132 A HN 0.044 nan 8.150 nan 0.000 0.406 133 L N 0.875 122.181 121.223 0.137 0.000 2.493 133 L HA 0.787 5.127 4.340 -0.000 0.000 0.265 133 L C -0.606 176.156 176.870 -0.179 0.000 0.954 133 L CA -0.117 54.594 54.840 -0.214 0.000 0.844 133 L CB 1.920 43.582 42.059 -0.661 0.000 1.302 133 L HN 0.820 nan 8.230 nan 0.000 0.405 134 R N 4.103 124.594 120.500 -0.015 0.000 2.532 134 R HA 0.543 4.883 4.340 -0.000 0.000 0.297 134 R C -1.720 174.643 176.300 0.106 0.000 0.984 134 R CA -0.921 55.252 56.100 0.123 0.000 0.884 134 R CB 1.693 32.049 30.300 0.093 0.000 1.182 134 R HN 0.670 nan 8.270 nan 0.000 0.442 135 L N 4.580 125.905 121.223 0.171 0.000 2.315 135 L HA 0.193 4.533 4.340 -0.000 0.000 0.283 135 L C 0.776 177.544 176.870 -0.170 0.000 1.089 135 L CA 0.629 55.380 54.840 -0.148 0.000 0.833 135 L CB 0.990 42.957 42.059 -0.153 0.000 1.170 135 L HN 0.704 nan 8.230 nan 0.000 0.442 136 E N 2.282 122.270 120.200 -0.353 0.000 2.166 136 E HA 0.097 4.447 4.350 -0.000 0.000 0.192 136 E C -0.215 176.149 176.600 -0.393 0.000 0.967 136 E CA 0.493 56.640 56.400 -0.421 0.000 0.840 136 E CB 0.430 29.607 29.700 -0.871 0.000 0.795 136 E HN 0.684 nan 8.360 nan 0.000 0.470 137 D N -1.111 119.061 120.400 -0.381 0.000 2.622 137 D HA 0.403 5.043 4.640 -0.000 0.000 0.255 137 D C -1.519 174.823 176.300 0.070 0.000 1.246 137 D CA -0.466 53.473 54.000 -0.101 0.000 0.795 137 D CB 1.454 42.219 40.800 -0.058 0.000 1.369 137 D HN -0.152 nan 8.370 nan 0.000 0.425 138 L N 1.336 122.630 121.223 0.119 0.000 2.431 138 L HA 0.491 4.831 4.340 -0.000 0.000 0.266 138 L C -0.323 176.480 176.870 -0.111 0.000 0.978 138 L CA -0.888 53.932 54.840 -0.033 0.000 0.822 138 L CB 2.269 44.243 42.059 -0.141 0.000 1.310 138 L HN 0.180 nan 8.230 nan 0.000 0.409 139 R N 4.471 124.684 120.500 -0.478 0.000 2.204 139 R HA 0.371 4.711 4.340 -0.000 0.000 0.341 139 R C -0.907 175.181 176.300 -0.353 0.000 1.035 139 R CA -0.646 55.171 56.100 -0.472 0.000 0.887 139 R CB 0.397 30.230 30.300 -0.778 0.000 1.114 139 R HN 0.431 nan 8.270 nan 0.000 0.473 140 I N 7.552 127.922 120.570 -0.334 0.000 2.322 140 I HA 0.264 4.434 4.170 -0.000 0.000 0.292 140 I C -1.942 174.028 176.117 -0.246 0.000 1.060 140 I CA -2.789 58.348 61.300 -0.272 0.000 1.309 140 I CB 0.846 38.657 38.000 -0.316 0.000 1.415 140 I HN 0.245 nan 8.210 nan 0.000 0.492 141 P HA 0.238 nan 4.420 nan 0.000 0.275 141 P C -2.258 175.026 177.300 -0.026 0.000 1.228 141 P CA -1.526 61.524 63.100 -0.084 0.000 0.786 141 P CB 0.502 32.178 31.700 -0.039 0.000 0.927 142 P HA -0.228 nan 4.420 nan 0.000 0.217 142 P C 1.505 178.847 177.300 0.070 0.000 1.151 142 P CA 2.346 65.462 63.100 0.026 0.000 0.849 142 P CB -0.476 31.245 31.700 0.035 0.000 0.787 143 A N -2.208 120.660 122.820 0.079 0.000 2.019 143 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 143 A C 2.187 179.886 177.584 0.192 0.000 1.164 143 A CA 1.432 53.535 52.037 0.110 0.000 0.644 143 A CB -1.600 17.456 19.000 0.093 0.000 0.805 143 A HN 0.173 nan 8.150 nan 0.000 0.449 144 Y N -0.283 120.046 120.300 0.049 0.000 2.347 144 Y HA 0.029 4.579 4.550 -0.000 0.000 0.294 144 Y C 2.340 178.385 175.900 0.242 0.000 1.117 144 Y CA 0.825 58.990 58.100 0.108 0.000 1.184 144 Y CB -0.236 38.245 38.460 0.035 0.000 1.047 144 Y HN 0.040 nan 8.280 nan 0.000 0.546 145 V N 0.885 120.877 119.914 0.130 0.000 2.324 145 V HA -0.337 3.783 4.120 -0.000 0.000 0.250 145 V C 2.269 178.475 176.094 0.188 0.000 1.060 145 V CA 2.119 64.484 62.300 0.109 0.000 1.042 145 V CB -0.525 31.346 31.823 0.080 0.000 0.650 145 V HN 0.249 nan 8.190 nan 0.000 0.450 146 K N 0.508 120.986 120.400 0.130 0.000 2.360 146 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 146 K C 2.095 178.728 176.600 0.055 0.000 1.046 146 K CA 1.607 57.952 56.287 0.096 0.000 0.945 146 K CB -0.805 31.739 32.500 0.074 0.000 0.750 146 K HN 0.770 nan 8.250 nan 0.000 0.464 147 T N -2.042 112.518 114.554 0.011 0.000 3.113 147 T HA 0.061 4.411 4.350 -0.000 0.000 0.256 147 T C 0.534 175.036 174.700 -0.329 0.000 1.131 147 T CA -0.063 61.933 62.100 -0.174 0.000 1.074 147 T CB -0.237 68.452 68.868 -0.299 0.000 0.944 147 T HN -0.156 nan 8.240 nan 0.000 0.516 148 F N 0.503 120.371 119.950 -0.137 0.000 2.421 148 F HA 0.529 5.056 4.527 0.000 0.000 0.337 148 F C 1.353 177.111 175.800 -0.069 0.000 1.105 148 F CA -1.351 56.580 58.000 -0.116 0.000 1.049 148 F CB 1.583 40.502 39.000 -0.135 0.000 1.139 148 F HN -0.263 nan 8.300 nan 0.000 0.479 149 V N 2.387 122.353 119.914 0.086 0.000 2.287 149 V HA -0.034 4.086 4.120 -0.000 0.000 0.248 149 V C 1.398 177.518 176.094 0.043 0.000 1.053 149 V CA 1.663 63.986 62.300 0.037 0.000 1.027 149 V CB -1.345 30.480 31.823 0.003 0.000 0.646 149 V HN 1.161 nan 8.190 nan 0.000 0.447 153 H N -0.678 118.365 119.070 -0.044 0.000 1.955 153 H HA 0.486 5.042 4.556 -0.000 0.000 0.196 153 H C 1.020 176.335 175.328 -0.023 0.000 0.891 153 H CA 1.141 57.173 56.048 -0.027 0.000 1.001 153 H CB 0.529 30.278 29.762 -0.021 0.000 1.195 153 H HN 0.295 nan 8.280 nan 0.000 0.384 154 G N 1.165 110.017 108.800 0.087 0.000 2.746 154 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.685 154 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.685 154 G C 0.783 175.722 174.900 0.066 0.000 1.350 154 G CA -0.050 45.072 45.100 0.036 0.000 0.837 154 G HN 0.202 nan 8.290 nan 0.000 0.564 155 I N 0.292 120.890 120.570 0.046 0.000 2.118 155 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 155 I C 2.952 179.115 176.117 0.077 0.000 1.070 155 I CA 2.488 63.825 61.300 0.062 0.000 1.327 155 I CB -0.229 37.796 38.000 0.042 0.000 1.034 155 I HN 0.779 nan 8.210 nan 0.000 0.405 156 Q N 1.036 120.881 119.800 0.075 0.000 2.030 156 Q HA -0.199 4.141 4.340 -0.000 0.000 0.204 156 Q C 2.360 178.421 176.000 0.103 0.000 0.986 156 Q CA 2.388 58.248 55.803 0.096 0.000 0.843 156 Q CB -0.109 28.679 28.738 0.082 0.000 0.904 156 Q HN 0.386 nan 8.270 nan 0.000 0.420 157 V N 1.519 121.489 119.914 0.093 0.000 2.343 157 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 157 V C 2.398 178.527 176.094 0.058 0.000 1.051 157 V CA 2.240 64.596 62.300 0.093 0.000 1.036 157 V CB -0.831 31.071 31.823 0.133 0.000 0.654 157 V HN 0.520 nan 8.190 nan 0.000 0.451 158 E N 0.413 120.650 120.200 0.062 0.000 2.038 158 E HA -0.268 4.082 4.350 -0.000 0.000 0.195 158 E C 2.473 179.087 176.600 0.023 0.000 1.000 158 E CA 1.559 57.982 56.400 0.039 0.000 0.803 158 E CB -0.127 29.632 29.700 0.099 0.000 0.750 158 E HN 0.497 nan 8.360 nan 0.000 0.448 159 R N 0.311 120.822 120.500 0.018 0.000 2.091 159 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 159 R C 2.049 178.241 176.300 -0.180 0.000 1.136 159 R CA 1.589 57.622 56.100 -0.110 0.000 0.959 159 R CB -0.227 30.047 30.300 -0.044 0.000 0.856 159 R HN 0.324 nan 8.270 nan 0.000 0.437 160 D N 0.476 120.899 120.400 0.039 0.000 2.117 160 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 160 D C 1.800 178.125 176.300 0.041 0.000 0.987 160 D CA 1.141 55.214 54.000 0.122 0.000 0.829 160 D CB -0.037 40.853 40.800 0.150 0.000 0.961 160 D HN 0.154 nan 8.370 nan 0.000 0.460 161 K N 0.331 120.733 120.400 0.004 0.000 2.097 161 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 161 K C 2.244 178.834 176.600 -0.017 0.000 1.050 161 K CA 0.476 56.756 56.287 -0.012 0.000 0.938 161 K CB -0.116 32.348 32.500 -0.059 0.000 0.718 161 K HN 0.239 nan 8.250 nan 0.000 0.442 162 L N 0.407 121.604 121.223 -0.042 0.000 2.418 162 L HA 0.025 4.365 4.340 -0.000 0.000 0.218 162 L C 0.658 177.458 176.870 -0.117 0.000 1.125 162 L CA 0.052 54.860 54.840 -0.053 0.000 0.835 162 L CB -0.521 41.520 42.059 -0.029 0.000 0.953 162 L HN 0.389 nan 8.230 nan 0.000 0.454 163 N N 1.316 119.908 118.700 -0.180 0.000 2.740 163 N HA -0.184 4.556 4.740 -0.000 0.000 0.248 163 N C -0.533 174.751 175.510 -0.376 0.000 1.062 163 N CA 0.396 53.325 53.050 -0.203 0.000 0.704 163 N CB -0.381 38.102 38.487 -0.006 0.000 0.968 163 N HN 0.367 nan 8.380 nan 0.000 0.547 164 K N 1.525 121.519 120.400 -0.676 0.000 2.450 164 K HA 0.391 4.711 4.320 -0.000 0.000 0.257 164 K C -1.457 174.766 176.600 -0.628 0.000 0.953 164 K CA -0.343 55.663 56.287 -0.470 0.000 0.844 164 K CB 1.056 33.404 32.500 -0.253 0.000 1.103 164 K HN 0.112 nan 8.250 nan 0.000 0.429 165 Y N -0.520 119.787 120.300 0.012 0.000 2.534 165 Y HA 0.449 4.999 4.550 0.000 0.000 0.345 165 Y C 0.992 176.899 175.900 0.012 0.000 1.031 165 Y CA -0.780 57.330 58.100 0.016 0.000 1.022 165 Y CB 2.592 41.061 38.460 0.016 0.000 1.292 165 Y HN 0.749 nan 8.280 nan 0.000 0.459 166 G N 1.509 110.418 108.800 0.180 0.000 2.159 166 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.227 166 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.227 166 G C -0.241 174.700 174.900 0.068 0.000 0.986 166 G CA 0.092 45.256 45.100 0.107 0.000 0.651 166 G HN 0.900 nan 8.290 nan 0.000 0.523 167 R N -1.293 119.243 120.500 0.061 0.000 2.712 167 R HA 0.634 4.974 4.340 -0.000 0.000 0.272 167 R C 0.358 176.681 176.300 0.037 0.000 1.032 167 R CA -0.517 55.609 56.100 0.043 0.000 0.874 167 R CB 0.136 30.453 30.300 0.028 0.000 1.256 167 R HN 0.980 nan 8.270 nan 0.000 0.468 168 G N 1.296 110.119 108.800 0.039 0.000 2.544 168 G HA2 0.351 4.311 3.960 -0.000 0.000 0.242 168 G HA3 0.351 4.311 3.960 -0.000 0.000 0.242 168 G C -0.105 174.806 174.900 0.019 0.000 1.247 168 G CA -0.842 44.276 45.100 0.030 0.000 0.840 168 G HN 0.382 nan 8.290 nan 0.000 0.578 169 L N 0.345 121.579 121.223 0.018 0.000 2.395 169 L HA 0.397 4.737 4.340 -0.000 0.000 0.269 169 L C 0.292 177.196 176.870 0.057 0.000 1.133 169 L CA -0.430 54.429 54.840 0.032 0.000 0.812 169 L CB 0.912 43.046 42.059 0.125 0.000 1.125 169 L HN 0.212 nan 8.230 nan 0.000 0.452 170 L N 1.412 122.662 121.223 0.044 0.000 2.341 170 L HA 0.741 5.081 4.340 -0.000 0.000 0.278 170 L C 0.210 177.144 176.870 0.107 0.000 1.005 170 L CA -0.278 54.620 54.840 0.096 0.000 0.818 170 L CB 1.871 43.968 42.059 0.063 0.000 1.259 170 L HN 0.744 nan 8.230 nan 0.000 0.418 171 G N 0.743 109.627 108.800 0.141 0.000 2.949 171 G HA2 0.650 4.610 3.960 -0.000 0.000 0.285 171 G HA3 0.650 4.610 3.960 -0.000 0.000 0.285 171 G C -1.693 173.247 174.900 0.067 0.000 1.395 171 G CA -0.439 44.714 45.100 0.088 0.000 0.901 171 G HN 0.446 nan 8.290 nan 0.000 0.519 172 S N -1.308 114.380 115.700 -0.019 0.000 2.548 172 S HA 0.584 5.054 4.470 -0.000 0.000 0.278 172 S C -0.814 173.754 174.600 -0.054 0.000 1.150 172 S CA -0.502 57.701 58.200 0.005 0.000 0.907 172 S CB 1.366 64.587 63.200 0.035 0.000 1.108 172 S HN 0.748 nan 8.310 nan 0.000 0.459 173 T N 5.431 119.975 114.554 -0.015 0.000 2.817 173 T HA 0.406 4.756 4.350 -0.000 0.000 0.293 173 T C 0.398 175.096 174.700 -0.004 0.000 0.964 173 T CA -0.534 61.564 62.100 -0.004 0.000 1.085 173 T CB 0.189 69.085 68.868 0.046 0.000 0.921 173 T HN 0.544 nan 8.240 nan 0.000 0.502 174 I N 3.892 124.444 120.570 -0.031 0.000 2.648 174 I HA 0.202 4.372 4.170 -0.000 0.000 0.284 174 I C 0.670 176.754 176.117 -0.056 0.000 1.153 174 I CA 0.107 61.323 61.300 -0.141 0.000 1.426 174 I CB -0.104 37.576 38.000 -0.535 0.000 1.381 174 I HN 0.450 nan 8.210 nan 0.000 0.571 175 K N 6.532 126.902 120.400 -0.049 0.000 2.435 175 K HA 0.563 4.883 4.320 -0.000 0.000 0.251 175 K C -2.437 174.159 176.600 -0.007 0.000 0.954 175 K CA -1.656 54.634 56.287 0.005 0.000 0.820 175 K CB 1.592 34.111 32.500 0.030 0.000 1.292 175 K HN 0.280 nan 8.250 nan 0.000 0.436 176 P HA 0.124 nan 4.420 nan 0.000 0.270 176 P C 0.311 177.634 177.300 0.040 0.000 1.223 176 P CA -0.132 62.977 63.100 0.014 0.000 0.785 176 P CB 0.857 32.549 31.700 -0.014 0.000 0.923 177 K N 0.230 120.654 120.400 0.040 0.000 2.020 177 K HA -0.087 4.233 4.320 -0.000 0.000 0.212 177 K C 0.768 177.426 176.600 0.096 0.000 1.050 177 K CA 1.300 57.632 56.287 0.074 0.000 0.929 177 K CB -0.295 32.233 32.500 0.047 0.000 0.714 177 K HN 0.395 nan 8.250 nan 0.000 0.443 178 L N -2.192 119.012 121.223 -0.031 0.000 2.333 178 L HA 0.428 4.768 4.340 -0.000 0.000 0.263 178 L C 0.762 177.290 176.870 -0.571 0.000 1.014 178 L CA -0.340 54.347 54.840 -0.255 0.000 0.820 178 L CB 2.240 44.185 42.059 -0.190 0.000 1.352 178 L HN 0.460 nan 8.230 nan 0.000 0.421 179 G N 0.968 108.952 108.800 -1.360 0.000 2.253 179 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.209 179 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.209 179 G C -0.119 174.596 174.900 -0.308 0.000 0.997 179 G CA -0.575 44.015 45.100 -0.851 0.000 0.640 179 G HN 0.314 nan 8.290 nan 0.000 0.496 180 L N 2.563 123.748 121.223 -0.063 0.000 2.371 180 L HA 0.527 4.867 4.340 -0.000 0.000 0.272 180 L C 1.543 178.603 176.870 0.317 0.000 1.124 180 L CA 0.045 54.984 54.840 0.166 0.000 0.816 180 L CB 1.352 43.569 42.059 0.264 0.000 1.129 180 L HN 0.487 nan 8.230 nan 0.000 0.448 181 S N 1.821 117.652 115.700 0.218 0.000 2.600 181 S HA 0.256 4.726 4.470 -0.000 0.000 0.265 181 S C 1.119 175.827 174.600 0.180 0.000 1.325 181 S CA -0.150 58.163 58.200 0.189 0.000 1.002 181 S CB 1.514 64.767 63.200 0.089 0.000 0.921 181 S HN 0.707 nan 8.310 nan 0.000 0.554 182 A N 1.574 124.478 122.820 0.141 0.000 1.908 182 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 182 A C 2.123 179.705 177.584 -0.002 0.000 1.181 182 A CA 2.180 54.324 52.037 0.179 0.000 0.627 182 A CB -1.075 18.118 19.000 0.323 0.000 0.818 182 A HN 0.940 nan 8.150 nan 0.000 0.445 183 K N 0.112 120.282 120.400 -0.384 0.000 2.025 183 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 183 K C 1.693 178.113 176.600 -0.300 0.000 1.049 183 K CA 1.801 57.593 56.287 -0.825 0.000 0.933 183 K CB -0.284 31.757 32.500 -0.765 0.000 0.714 183 K HN 0.414 nan 8.250 nan 0.000 0.438 184 N N -0.397 118.239 118.700 -0.106 0.000 2.244 184 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 184 N C 1.544 177.079 175.510 0.042 0.000 1.016 184 N CA 1.020 54.060 53.050 -0.017 0.000 0.866 184 N CB -0.358 38.140 38.487 0.019 0.000 0.980 184 N HN 0.244 nan 8.380 nan 0.000 0.430 185 Y N 1.265 121.560 120.300 -0.008 0.000 2.097 185 Y HA -0.149 4.401 4.550 0.000 0.000 0.282 185 Y C 2.466 178.369 175.900 0.005 0.000 1.152 185 Y CA 1.947 60.066 58.100 0.032 0.000 1.136 185 Y CB -0.658 37.849 38.460 0.079 0.000 0.975 185 Y HN 0.080 nan 8.280 nan 0.000 0.498 186 G N -0.754 108.141 108.800 0.158 0.000 2.422 186 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 186 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 186 G C 1.733 176.681 174.900 0.080 0.000 1.140 186 G CA 0.769 45.934 45.100 0.109 0.000 0.775 186 G HN 0.337 nan 8.290 nan 0.000 0.545 187 R N 0.579 121.101 120.500 0.036 0.000 2.080 187 R HA -0.025 4.315 4.340 -0.000 0.000 0.236 187 R C 2.826 179.169 176.300 0.072 0.000 1.137 187 R CA 1.699 57.841 56.100 0.071 0.000 0.943 187 R CB -0.475 29.833 30.300 0.014 0.000 0.846 187 R HN 0.251 nan 8.270 nan 0.000 0.431 188 A N 0.327 123.143 122.820 -0.007 0.000 1.902 188 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 188 A C 2.313 179.869 177.584 -0.048 0.000 1.181 188 A CA 1.667 53.672 52.037 -0.053 0.000 0.623 188 A CB -0.597 18.324 19.000 -0.132 0.000 0.818 188 A HN 0.256 nan 8.150 nan 0.000 0.443 189 V N -1.135 118.758 119.914 -0.035 0.000 2.261 189 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 189 V C 2.394 178.518 176.094 0.050 0.000 1.047 189 V CA 2.242 64.547 62.300 0.008 0.000 1.015 189 V CB -1.076 30.735 31.823 -0.021 0.000 0.642 189 V HN 0.753 nan 8.190 nan 0.000 0.446 190 Y N 1.477 121.766 120.300 -0.018 0.000 2.128 190 Y HA -0.231 4.319 4.550 0.000 0.000 0.284 190 Y C 2.558 178.454 175.900 -0.007 0.000 1.154 190 Y CA 2.001 60.098 58.100 -0.005 0.000 1.149 190 Y CB -0.376 38.088 38.460 0.006 0.000 0.976 190 Y HN 0.287 nan 8.280 nan 0.000 0.505 191 E N -0.357 119.631 120.200 -0.353 0.000 2.110 191 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 191 E C 2.491 178.935 176.600 -0.259 0.000 0.988 191 E CA 1.388 57.544 56.400 -0.406 0.000 0.804 191 E CB -0.925 28.669 29.700 -0.177 0.000 0.745 191 E HN 0.559 nan 8.360 nan 0.000 0.458 192 C N 0.810 120.021 119.300 -0.148 0.000 2.436 192 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 192 C C 2.905 177.831 174.990 -0.106 0.000 1.241 192 C CA 0.441 59.400 59.018 -0.098 0.000 1.721 192 C CB -1.194 26.517 27.740 -0.048 0.000 2.043 192 C HN 0.363 nan 8.230 nan 0.000 0.472 193 L N 1.194 122.362 121.223 -0.092 0.000 2.046 193 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 193 L C 2.902 179.713 176.870 -0.098 0.000 1.077 193 L CA 1.902 56.700 54.840 -0.069 0.000 0.747 193 L CB -0.761 41.292 42.059 -0.011 0.000 0.896 193 L HN 0.488 nan 8.230 nan 0.000 0.432 194 R N 0.447 120.839 120.500 -0.179 0.000 2.237 194 R HA -0.072 4.268 4.340 -0.000 0.000 0.219 194 R C 1.860 178.079 176.300 -0.135 0.000 1.080 194 R CA 1.311 57.306 56.100 -0.175 0.000 0.995 194 R CB -0.631 29.451 30.300 -0.365 0.000 0.875 194 R HN 0.270 nan 8.270 nan 0.000 0.462 195 G N -0.727 107.988 108.800 -0.141 0.000 2.880 195 G HA2 0.265 4.225 3.960 -0.000 0.000 0.209 195 G HA3 0.265 4.225 3.960 -0.000 0.000 0.209 195 G C 0.873 175.722 174.900 -0.084 0.000 1.157 195 G CA 0.255 45.289 45.100 -0.111 0.000 0.779 195 G HN 0.571 nan 8.290 nan 0.000 0.539 196 G N -0.716 108.037 108.800 -0.078 0.000 2.370 196 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.174 196 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.174 196 G C 0.234 175.090 174.900 -0.074 0.000 1.002 196 G CA -0.429 44.632 45.100 -0.066 0.000 0.730 196 G HN 0.295 nan 8.290 nan 0.000 0.497 197 L N 1.409 122.586 121.223 -0.077 0.000 2.397 197 L HA 0.361 4.701 4.340 -0.000 0.000 0.271 197 L C 0.989 177.779 176.870 -0.134 0.000 1.148 197 L CA -0.670 54.125 54.840 -0.075 0.000 0.825 197 L CB 0.668 42.701 42.059 -0.043 0.000 1.117 197 L HN 0.000 nan 8.230 nan 0.000 0.456 198 D N 1.525 121.794 120.400 -0.218 0.000 2.183 198 D HA 0.036 4.676 4.640 -0.000 0.000 0.205 198 D C -0.097 175.835 176.300 -0.613 0.000 0.962 198 D CA 1.526 55.236 54.000 -0.485 0.000 0.849 198 D CB 0.305 40.677 40.800 -0.713 0.000 0.978 198 D HN 0.147 nan 8.370 nan 0.000 0.488 199 F N -0.088 119.822 119.950 -0.066 0.000 2.588 199 F HA 0.316 4.843 4.527 0.000 0.000 0.314 199 F C 0.650 176.295 175.800 -0.258 0.000 1.069 199 F CA -1.040 56.853 58.000 -0.180 0.000 0.931 199 F CB 1.772 40.609 39.000 -0.272 0.000 1.260 199 F HN -0.336 nan 8.300 nan 0.000 0.465 203 D N 1.236 121.764 120.400 0.213 0.000 2.400 203 D HA -0.029 4.611 4.640 -0.000 0.000 0.238 203 D C 1.572 177.859 176.300 -0.021 0.000 1.157 203 D CA 0.082 54.134 54.000 0.088 0.000 0.889 203 D CB 1.055 41.923 40.800 0.114 0.000 1.199 203 D HN 0.415 nan 8.370 nan 0.000 0.436 204 E N 2.596 122.659 120.200 -0.229 0.000 2.187 204 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 204 E C 0.689 177.185 176.600 -0.174 0.000 1.004 204 E CA 1.375 57.528 56.400 -0.412 0.000 0.813 204 E CB -0.372 28.724 29.700 -1.007 0.000 0.736 204 E HN 0.509 nan 8.360 nan 0.000 0.468 205 N N 0.829 119.482 118.700 -0.077 0.000 2.280 205 N HA 0.014 4.754 4.740 -0.000 0.000 0.192 205 N C 0.031 175.578 175.510 0.062 0.000 1.109 205 N CA -0.081 52.964 53.050 -0.009 0.000 0.855 205 N CB 0.154 38.647 38.487 0.009 0.000 0.974 205 N HN -0.044 nan 8.380 nan 0.000 0.482 206 V N 1.933 121.898 119.914 0.085 0.000 2.387 206 V HA 0.173 4.293 4.120 -0.000 0.000 0.260 206 V C 0.264 176.401 176.094 0.072 0.000 1.054 206 V CA -0.107 62.264 62.300 0.119 0.000 0.967 206 V CB -0.458 31.451 31.823 0.142 0.000 1.036 206 V HN 0.315 nan 8.190 nan 0.000 0.481 207 N N 2.620 121.345 118.700 0.042 0.000 3.039 207 N HA 0.245 4.985 4.740 -0.000 0.000 0.188 207 N C -0.202 175.329 175.510 0.035 0.000 1.310 207 N CA -0.344 52.724 53.050 0.030 0.000 1.111 207 N CB 0.593 39.075 38.487 -0.009 0.000 1.311 207 N HN 0.501 nan 8.380 nan 0.000 0.490 208 S N 0.253 115.948 115.700 -0.010 0.000 2.736 208 S HA 0.456 4.926 4.470 -0.000 0.000 0.285 208 S C -1.789 172.731 174.600 -0.134 0.000 1.163 208 S CA -0.406 57.789 58.200 -0.008 0.000 1.025 208 S CB 1.160 64.467 63.200 0.178 0.000 1.030 208 S HN 0.251 nan 8.310 nan 0.000 0.486 209 Q N 3.406 123.009 119.800 -0.329 0.000 2.495 209 Q HA 0.487 4.827 4.340 -0.000 0.000 0.287 209 Q C -2.083 173.649 176.000 -0.447 0.000 1.078 209 Q CA -1.843 53.691 55.803 -0.447 0.000 0.793 209 Q CB 1.744 30.012 28.738 -0.784 0.000 1.459 209 Q HN 0.267 nan 8.270 nan 0.000 0.422 210 P HA -0.195 nan 4.420 nan 0.000 0.216 210 P C 0.597 177.845 177.300 -0.085 0.000 1.150 210 P CA 1.417 64.452 63.100 -0.108 0.000 0.843 210 P CB 0.033 31.739 31.700 0.010 0.000 0.787 211 F N -2.461 117.502 119.950 0.022 0.000 2.502 211 F HA 0.244 4.771 4.527 0.000 0.000 0.298 211 F C 0.969 176.785 175.800 0.028 0.000 1.111 211 F CA 0.200 58.217 58.000 0.027 0.000 1.445 211 F CB -0.576 38.445 39.000 0.035 0.000 1.081 211 F HN -0.169 nan 8.300 nan 0.000 0.558 212 M N 1.283 120.635 119.600 -0.412 0.000 2.355 212 M HA 0.329 4.809 4.480 -0.000 0.000 0.232 212 M C -1.499 174.643 176.300 -0.263 0.000 0.988 212 M CA -0.535 54.646 55.300 -0.199 0.000 0.931 212 M CB 1.068 33.656 32.600 -0.020 0.000 2.294 212 M HN -0.193 nan 8.290 nan 0.000 0.459 213 R N 3.878 124.284 120.500 -0.158 0.000 2.459 213 R HA 0.265 4.605 4.340 -0.000 0.000 0.281 213 R C 1.075 177.286 176.300 -0.148 0.000 1.050 213 R CA -0.215 55.788 56.100 -0.162 0.000 1.055 213 R CB 0.605 30.784 30.300 -0.202 0.000 1.045 213 R HN 0.959 nan 8.270 nan 0.000 0.495 214 W N 4.077 125.264 121.300 -0.189 0.000 2.338 214 W HA -0.158 4.502 4.660 -0.001 0.000 0.304 214 W C 1.091 177.416 176.519 -0.323 0.000 1.212 214 W CA 0.757 57.959 57.345 -0.239 0.000 1.264 214 W CB -0.431 28.806 29.460 -0.371 0.000 1.142 214 W HN 0.555 nan 8.180 nan 0.000 0.512 215 R N 0.995 120.736 120.500 -1.264 0.000 2.115 215 R HA -0.117 4.223 4.340 -0.000 0.000 0.226 215 R C 1.827 177.857 176.300 -0.449 0.000 1.100 215 R CA 1.787 57.166 56.100 -1.200 0.000 0.980 215 R CB -0.315 29.042 30.300 -1.573 0.000 0.875 215 R HN -0.025 nan 8.270 nan 0.000 0.445 216 D N 0.168 120.373 120.400 -0.325 0.000 2.097 216 D HA -0.213 4.427 4.640 -0.000 0.000 0.195 216 D C 1.848 178.197 176.300 0.082 0.000 0.989 216 D CA 1.119 55.048 54.000 -0.117 0.000 0.827 216 D CB -0.247 40.551 40.800 -0.004 0.000 0.966 216 D HN 0.230 nan 8.370 nan 0.000 0.456 217 R N -0.200 120.388 120.500 0.146 0.000 2.080 217 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 217 R C 2.316 178.815 176.300 0.333 0.000 1.137 217 R CA 1.179 57.431 56.100 0.254 0.000 0.943 217 R CB -0.382 30.024 30.300 0.176 0.000 0.846 217 R HN 0.037 nan 8.270 nan 0.000 0.431 218 F N 0.717 120.703 119.950 0.060 0.000 2.120 218 F HA -0.199 4.328 4.527 0.001 0.000 0.300 218 F C 2.134 177.944 175.800 0.017 0.000 1.095 218 F CA 1.031 59.081 58.000 0.083 0.000 1.249 218 F CB -0.755 38.344 39.000 0.166 0.000 0.995 218 F HN 0.068 nan 8.300 nan 0.000 0.480 219 L N -1.573 119.723 121.223 0.122 0.000 2.027 219 L HA -0.174 4.166 4.340 -0.000 0.000 0.206 219 L C 2.291 179.116 176.870 -0.075 0.000 1.074 219 L CA 1.518 56.325 54.840 -0.056 0.000 0.745 219 L CB -0.950 40.955 42.059 -0.256 0.000 0.898 219 L HN -0.050 nan 8.230 nan 0.000 0.433 220 F N -1.498 118.484 119.950 0.053 0.000 2.186 220 F HA -0.165 4.362 4.527 0.000 0.000 0.299 220 F C 2.398 178.207 175.800 0.014 0.000 1.090 220 F CA 1.018 59.041 58.000 0.037 0.000 1.307 220 F CB -1.036 37.994 39.000 0.050 0.000 1.019 220 F HN -0.185 nan 8.300 nan 0.000 0.489 221 V N -0.132 119.880 119.914 0.164 0.000 2.343 221 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 221 V C 2.604 178.667 176.094 -0.051 0.000 1.051 221 V CA 1.696 63.989 62.300 -0.013 0.000 1.036 221 V CB -1.327 30.383 31.823 -0.189 0.000 0.654 221 V HN 0.346 nan 8.190 nan 0.000 0.451 222 A N -0.536 122.262 122.820 -0.036 0.000 1.892 222 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 222 A C 2.284 179.830 177.584 -0.064 0.000 1.188 222 A CA 2.239 54.206 52.037 -0.116 0.000 0.631 222 A CB -0.605 18.411 19.000 0.027 0.000 0.822 222 A HN 0.624 nan 8.150 nan 0.000 0.447 223 E N -0.310 119.934 120.200 0.073 0.000 2.058 223 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 223 E C 2.217 178.861 176.600 0.072 0.000 0.997 223 E CA 1.189 57.660 56.400 0.118 0.000 0.801 223 E CB -0.266 29.509 29.700 0.126 0.000 0.746 223 E HN 0.558 nan 8.360 nan 0.000 0.450 224 A N 1.033 123.888 122.820 0.059 0.000 1.877 224 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 224 A C 2.176 179.811 177.584 0.085 0.000 1.186 224 A CA 1.402 53.492 52.037 0.087 0.000 0.620 224 A CB -0.665 18.404 19.000 0.115 0.000 0.822 224 A HN 0.322 nan 8.150 nan 0.000 0.443 225 I N -1.798 118.747 120.570 -0.042 0.000 2.163 225 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 225 I C 2.360 178.443 176.117 -0.056 0.000 1.085 225 I CA 1.567 62.800 61.300 -0.113 0.000 1.347 225 I CB -0.396 37.410 38.000 -0.322 0.000 1.044 225 I HN 0.399 nan 8.210 nan 0.000 0.408 226 Y N 0.539 120.880 120.300 0.067 0.000 2.337 226 Y HA -0.141 4.409 4.550 -0.000 0.000 0.293 226 Y C 2.496 178.423 175.900 0.045 0.000 1.123 226 Y CA 0.852 58.981 58.100 0.049 0.000 1.201 226 Y CB -0.657 37.823 38.460 0.033 0.000 1.011 226 Y HN 0.077 nan 8.280 nan 0.000 0.545 227 K N 0.314 120.815 120.400 0.168 0.000 2.026 227 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 227 K C 2.300 179.017 176.600 0.196 0.000 1.048 227 K CA 1.303 57.643 56.287 0.088 0.000 0.929 227 K CB -0.266 32.148 32.500 -0.143 0.000 0.713 227 K HN 0.221 nan 8.250 nan 0.000 0.439 228 A N 0.954 123.940 122.820 0.277 0.000 1.930 228 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 228 A C 2.079 179.744 177.584 0.135 0.000 1.175 228 A CA 1.644 53.829 52.037 0.246 0.000 0.627 228 A CB -0.595 18.512 19.000 0.179 0.000 0.815 228 A HN 0.566 nan 8.150 nan 0.000 0.443 229 Q N -0.520 119.355 119.800 0.126 0.000 2.084 229 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 229 Q C 2.160 178.219 176.000 0.098 0.000 0.978 229 Q CA 1.611 57.477 55.803 0.104 0.000 0.844 229 Q CB -0.344 28.478 28.738 0.141 0.000 0.898 229 Q HN 0.598 nan 8.270 nan 0.000 0.426 230 A N 0.638 123.526 122.820 0.114 0.000 1.930 230 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 230 A C 1.878 179.507 177.584 0.075 0.000 1.175 230 A CA 1.622 53.709 52.037 0.084 0.000 0.627 230 A CB -0.610 18.436 19.000 0.076 0.000 0.815 230 A HN 0.621 nan 8.150 nan 0.000 0.443 231 E N -0.463 119.796 120.200 0.098 0.000 2.072 231 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 231 E C 2.012 178.650 176.600 0.063 0.000 0.982 231 E CA 1.754 58.211 56.400 0.094 0.000 0.803 231 E CB -0.056 29.736 29.700 0.154 0.000 0.755 231 E HN 0.721 nan 8.360 nan 0.000 0.453 232 T N -3.958 110.628 114.554 0.054 0.000 3.040 232 T HA 0.239 4.589 4.350 -0.000 0.000 0.252 232 T C 1.561 176.275 174.700 0.025 0.000 1.064 232 T CA 0.657 62.774 62.100 0.029 0.000 1.110 232 T CB 0.484 69.359 68.868 0.011 0.000 0.921 232 T HN 0.328 nan 8.240 nan 0.000 0.480 233 G N 1.198 110.018 108.800 0.032 0.000 2.162 233 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 233 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 233 G C -0.244 174.667 174.900 0.019 0.000 0.976 233 G CA 0.258 45.375 45.100 0.028 0.000 0.655 233 G HN 0.676 nan 8.290 nan 0.000 0.533 234 E N -0.449 119.756 120.200 0.009 0.000 2.202 234 E HA 0.525 4.875 4.350 -0.000 0.000 0.272 234 E C 0.295 176.887 176.600 -0.014 0.000 0.951 234 E CA -1.040 55.353 56.400 -0.013 0.000 0.813 234 E CB 2.425 32.103 29.700 -0.037 0.000 1.151 234 E HN 0.062 nan 8.360 nan 0.000 0.398 235 V N 3.884 123.782 119.914 -0.027 0.000 2.599 235 V HA -0.019 4.101 4.120 -0.000 0.000 0.300 235 V C 0.259 176.311 176.094 -0.070 0.000 1.034 235 V CA 0.524 62.812 62.300 -0.020 0.000 1.115 235 V CB -0.007 31.805 31.823 -0.019 0.000 0.934 235 V HN 0.513 nan 8.190 nan 0.000 0.485 236 K N 3.155 123.539 120.400 -0.027 0.000 2.340 236 K HA 0.841 5.161 4.320 -0.000 0.000 0.244 236 K C 0.020 176.639 176.600 0.032 0.000 0.973 236 K CA -0.430 55.826 56.287 -0.051 0.000 0.828 236 K CB 2.436 34.926 32.500 -0.016 0.000 1.226 236 K HN 0.833 nan 8.250 nan 0.000 0.437 237 G N 0.064 108.937 108.800 0.122 0.000 2.684 237 G HA2 0.393 4.353 3.960 -0.000 0.000 0.290 237 G HA3 0.393 4.353 3.960 -0.000 0.000 0.290 237 G C -1.925 173.160 174.900 0.309 0.000 1.425 237 G CA -0.285 44.987 45.100 0.288 0.000 0.822 237 G HN 0.553 nan 8.290 nan 0.000 0.482 238 H N 0.243 119.373 119.070 0.100 0.000 2.934 238 H HA 0.317 4.873 4.556 -0.000 0.000 0.340 238 H C -1.137 174.200 175.328 0.015 0.000 1.008 238 H CA -0.577 55.461 56.048 -0.016 0.000 1.317 238 H CB 1.380 31.127 29.762 -0.024 0.000 1.670 238 H HN 0.374 nan 8.280 nan 0.000 0.516 239 Y N 5.594 125.643 120.300 -0.419 0.000 2.730 239 Y HA 0.107 4.657 4.550 -0.000 0.000 0.357 239 Y C 0.695 176.470 175.900 -0.207 0.000 1.167 239 Y CA -0.550 57.363 58.100 -0.312 0.000 1.579 239 Y CB -0.712 37.522 38.460 -0.377 0.000 1.262 239 Y HN 0.322 nan 8.280 nan 0.000 0.510 240 L N 3.623 124.862 121.223 0.026 0.000 2.360 240 L HA 0.144 4.484 4.340 -0.000 0.000 0.276 240 L C 0.691 177.563 176.870 0.003 0.000 1.121 240 L CA 0.050 54.815 54.840 -0.124 0.000 0.845 240 L CB 0.355 41.968 42.059 -0.743 0.000 1.143 240 L HN 0.605 nan 8.230 nan 0.000 0.452 241 N N 1.911 120.694 118.700 0.139 0.000 2.420 241 N HA 0.178 4.918 4.740 -0.000 0.000 0.262 241 N C 0.606 176.248 175.510 0.220 0.000 1.144 241 N CA -0.092 53.062 53.050 0.172 0.000 0.952 241 N CB 1.054 39.628 38.487 0.144 0.000 1.081 241 N HN 0.776 nan 8.380 nan 0.000 0.480 242 A N 2.676 125.586 122.820 0.150 0.000 2.238 242 A HA 0.062 4.382 4.320 -0.000 0.000 0.210 242 A C 0.718 178.315 177.584 0.021 0.000 1.179 242 A CA 0.039 52.109 52.037 0.054 0.000 0.827 242 A CB 0.024 19.027 19.000 0.005 0.000 0.856 242 A HN 0.591 nan 8.150 nan 0.000 0.488 243 T N 1.801 116.429 114.554 0.124 0.000 2.905 243 T HA 0.417 4.767 4.350 -0.000 0.000 0.299 243 T C 0.210 174.904 174.700 -0.009 0.000 1.024 243 T CA 0.940 63.113 62.100 0.121 0.000 1.151 243 T CB 0.509 69.391 68.868 0.025 0.000 0.987 243 T HN 0.744 nan 8.240 nan 0.000 0.535 244 A N 2.459 125.267 122.820 -0.021 0.000 2.588 244 A HA 0.806 5.126 4.320 -0.000 0.000 0.290 244 A C 1.293 178.845 177.584 -0.052 0.000 1.136 244 A CA -0.304 51.684 52.037 -0.081 0.000 0.681 244 A CB 0.656 19.560 19.000 -0.161 0.000 1.282 244 A HN 0.757 nan 8.150 nan 0.000 0.421 245 G N -0.736 108.028 108.800 -0.061 0.000 2.448 245 G HA2 0.339 4.299 3.960 -0.000 0.000 0.218 245 G HA3 0.339 4.299 3.960 -0.000 0.000 0.218 245 G C 0.677 175.552 174.900 -0.041 0.000 1.135 245 G CA 1.798 46.871 45.100 -0.044 0.000 0.784 245 G HN 1.636 nan 8.290 nan 0.000 0.543 246 T N -4.270 110.251 114.554 -0.056 0.000 2.896 246 T HA 0.301 4.651 4.350 -0.000 0.000 0.297 246 T C 0.893 175.550 174.700 -0.071 0.000 1.108 246 T CA -0.255 61.814 62.100 -0.052 0.000 1.004 246 T CB 1.387 70.226 68.868 -0.049 0.000 1.159 246 T HN -0.072 nan 8.240 nan 0.000 0.499 247 C N 0.766 120.028 119.300 -0.063 0.000 2.425 247 C HA -0.021 4.439 4.460 -0.000 0.000 0.277 247 C C 2.605 177.530 174.990 -0.109 0.000 1.280 247 C CA 0.888 59.856 59.018 -0.083 0.000 1.744 247 C CB -1.349 26.354 27.740 -0.062 0.000 1.989 247 C HN 1.014 nan 8.230 nan 0.000 0.491 248 E N 0.963 121.109 120.200 -0.090 0.000 2.051 248 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 248 E C 2.236 178.758 176.600 -0.130 0.000 0.991 248 E CA 1.021 57.365 56.400 -0.094 0.000 0.799 248 E CB -0.298 29.365 29.700 -0.062 0.000 0.748 248 E HN 0.528 nan 8.360 nan 0.000 0.449 249 E N 0.179 120.295 120.200 -0.140 0.000 2.051 249 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 249 E C 2.044 178.457 176.600 -0.312 0.000 0.991 249 E CA 0.828 57.103 56.400 -0.208 0.000 0.799 249 E CB -0.307 29.285 29.700 -0.181 0.000 0.748 249 E HN 0.319 nan 8.360 nan 0.000 0.449 250 M N -0.185 119.266 119.600 -0.248 0.000 2.082 250 M HA -0.215 4.265 4.480 -0.000 0.000 0.258 250 M C 1.956 178.071 176.300 -0.308 0.000 1.069 250 M CA 1.459 56.603 55.300 -0.260 0.000 1.102 250 M CB -0.003 32.479 32.600 -0.197 0.000 1.336 250 M HN 0.036 nan 8.290 nan 0.000 0.404 251 M N 0.005 119.430 119.600 -0.291 0.000 2.175 251 M HA -0.165 4.315 4.480 -0.000 0.000 0.264 251 M C 1.973 178.072 176.300 -0.335 0.000 1.063 251 M CA 1.672 56.757 55.300 -0.358 0.000 1.119 251 M CB -1.198 31.229 32.600 -0.288 0.000 1.377 251 M HN 0.264 nan 8.290 nan 0.000 0.415 252 K N -0.080 120.159 120.400 -0.269 0.000 2.074 252 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 252 K C 2.133 178.554 176.600 -0.299 0.000 1.048 252 K CA 1.499 57.662 56.287 -0.207 0.000 0.926 252 K CB -0.018 32.392 32.500 -0.150 0.000 0.713 252 K HN 0.292 nan 8.250 nan 0.000 0.444 253 R N -0.300 119.836 120.500 -0.607 0.000 2.075 253 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 253 R C 2.356 178.629 176.300 -0.046 0.000 1.126 253 R CA 1.129 56.813 56.100 -0.694 0.000 0.963 253 R CB -0.285 29.486 30.300 -0.882 0.000 0.858 253 R HN 0.170 nan 8.270 nan 0.000 0.435 254 A N 1.230 123.967 122.820 -0.139 0.000 1.902 254 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 254 A C 1.418 179.022 177.584 0.033 0.000 1.181 254 A CA 0.860 52.855 52.037 -0.070 0.000 0.623 254 A CB -0.471 18.323 19.000 -0.342 0.000 0.818 254 A HN 0.051 nan 8.150 nan 0.000 0.443 258 K N 0.798 121.335 120.400 0.229 0.000 2.032 258 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 258 K C 1.449 178.148 176.600 0.164 0.000 1.048 258 K CA 2.029 58.435 56.287 0.198 0.000 0.927 258 K CB -0.182 32.465 32.500 0.246 0.000 0.712 258 K HN 0.617 nan 8.250 nan 0.000 0.441 259 E N 0.315 120.618 120.200 0.170 0.000 2.274 259 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 259 E C 1.823 178.506 176.600 0.139 0.000 0.996 259 E CA 0.576 57.059 56.400 0.138 0.000 0.840 259 E CB 0.075 29.852 29.700 0.128 0.000 0.772 259 E HN 0.340 nan 8.360 nan 0.000 0.491 260 L N -0.606 120.721 121.223 0.173 0.000 2.492 260 L HA 0.118 4.458 4.340 -0.000 0.000 0.223 260 L C 1.427 178.439 176.870 0.235 0.000 1.132 260 L CA 0.362 55.319 54.840 0.195 0.000 0.850 260 L CB 0.050 42.230 42.059 0.202 0.000 0.966 260 L HN 0.256 nan 8.230 nan 0.000 0.454 261 G N 0.807 109.723 108.800 0.192 0.000 2.153 261 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 261 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 261 G C 0.370 175.405 174.900 0.226 0.000 0.994 261 G CA 0.326 45.544 45.100 0.196 0.000 0.698 261 G HN 0.268 nan 8.290 nan 0.000 0.521 262 V N -2.327 117.687 119.914 0.167 0.000 2.834 262 V HA 0.728 4.848 4.120 -0.000 0.000 0.301 262 V C -0.020 176.125 176.094 0.084 0.000 1.066 262 V CA -0.966 61.385 62.300 0.086 0.000 1.052 262 V CB 1.297 33.120 31.823 -0.000 0.000 1.021 262 V HN 0.043 nan 8.190 nan 0.000 0.480 263 P HA 0.236 nan 4.420 nan 0.000 0.224 263 P C 0.134 177.461 177.300 0.046 0.000 1.157 263 P CA 0.827 63.972 63.100 0.076 0.000 0.799 263 P CB 0.552 32.325 31.700 0.121 0.000 0.809 264 I N -0.246 120.354 120.570 0.050 0.000 2.722 264 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 264 I C -1.147 174.973 176.117 0.006 0.000 1.267 264 I CA -1.544 59.755 61.300 -0.001 0.000 1.036 264 I CB 2.248 40.222 38.000 -0.043 0.000 1.281 264 I HN -0.249 nan 8.210 nan 0.000 0.423 265 I N 4.664 125.221 120.570 -0.021 0.000 3.067 265 I HA 0.692 4.862 4.170 -0.000 0.000 0.312 265 I C -0.807 175.304 176.117 -0.010 0.000 1.073 265 I CA -0.936 60.364 61.300 0.001 0.000 1.016 265 I CB 2.140 40.160 38.000 0.034 0.000 1.227 265 I HN 0.694 nan 8.210 nan 0.000 0.456 266 M N 1.710 121.346 119.600 0.061 0.000 2.690 266 M HA 0.643 5.123 4.480 -0.000 0.000 0.302 266 M C -1.509 174.893 176.300 0.170 0.000 1.234 266 M CA -0.524 54.845 55.300 0.114 0.000 0.853 266 M CB 2.191 34.926 32.600 0.225 0.000 1.748 266 M HN 0.798 nan 8.290 nan 0.000 0.469 267 H N -0.285 118.805 119.070 0.034 0.000 2.894 267 H HA 0.464 5.020 4.556 -0.000 0.000 0.367 267 H C -1.986 173.376 175.328 0.057 0.000 1.144 267 H CA -0.552 55.509 56.048 0.022 0.000 1.180 267 H CB 1.800 31.560 29.762 -0.004 0.000 1.758 267 H HN 0.761 nan 8.280 nan 0.000 0.541 268 D N 4.743 124.868 120.400 -0.458 0.000 2.441 268 D HA 0.011 4.651 4.640 -0.000 0.000 0.221 268 D C 0.685 176.650 176.300 -0.558 0.000 1.156 268 D CA -0.202 53.602 54.000 -0.326 0.000 0.896 268 D CB -0.010 40.651 40.800 -0.232 0.000 1.028 268 D HN 0.619 nan 8.370 nan 0.000 0.509 269 Y N 1.103 121.116 120.300 -0.478 0.000 2.439 269 Y HA 0.013 4.562 4.550 -0.000 0.000 0.292 269 Y C 1.272 176.872 175.900 -0.500 0.000 1.130 269 Y CA 0.737 58.576 58.100 -0.435 0.000 1.254 269 Y CB -0.412 37.895 38.460 -0.256 0.000 1.000 269 Y HN 0.232 nan 8.280 nan 0.000 0.554 270 L N 0.369 121.061 121.223 -0.884 0.000 2.202 270 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 270 L C 2.555 179.154 176.870 -0.452 0.000 1.083 270 L CA 1.386 55.733 54.840 -0.821 0.000 0.790 270 L CB -0.655 40.957 42.059 -0.745 0.000 0.942 270 L HN 0.401 nan 8.230 nan 0.000 0.452 271 T N -3.656 110.695 114.554 -0.338 0.000 2.978 271 T HA 0.017 4.367 4.350 -0.000 0.000 0.262 271 T C 1.874 176.459 174.700 -0.192 0.000 1.063 271 T CA 0.777 62.745 62.100 -0.221 0.000 1.140 271 T CB -0.382 68.386 68.868 -0.165 0.000 0.886 271 T HN 0.296 nan 8.240 nan 0.000 0.470 272 G N 1.345 109.998 108.800 -0.244 0.000 2.396 272 G HA2 0.441 4.401 3.960 -0.000 0.000 0.214 272 G HA3 0.441 4.401 3.960 -0.000 0.000 0.214 272 G C 0.868 175.736 174.900 -0.054 0.000 1.166 272 G CA 0.220 45.258 45.100 -0.103 0.000 0.793 272 G HN 1.228 nan 8.290 nan 0.000 0.533 273 G N -1.898 106.807 108.800 -0.158 0.000 2.587 273 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.686 273 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.686 273 G C 0.126 174.968 174.900 -0.097 0.000 1.236 273 G CA -0.181 44.805 45.100 -0.190 0.000 0.820 273 G HN 0.086 nan 8.290 nan 0.000 0.645 274 F N 0.621 120.564 119.950 -0.012 0.000 2.171 274 F HA -0.007 4.519 4.527 -0.000 0.000 0.300 274 F C 3.103 178.925 175.800 0.037 0.000 1.090 274 F CA 2.301 60.310 58.000 0.016 0.000 1.293 274 F CB -0.587 38.371 39.000 -0.071 0.000 1.013 274 F HN 0.555 nan 8.300 nan 0.000 0.486 275 T N -0.170 114.503 114.554 0.198 0.000 2.674 275 T HA -0.186 4.164 4.350 -0.000 0.000 0.265 275 T C 2.337 177.081 174.700 0.074 0.000 1.039 275 T CA 1.435 63.606 62.100 0.118 0.000 1.150 275 T CB -0.734 68.183 68.868 0.081 0.000 0.864 275 T HN 0.277 nan 8.240 nan 0.000 0.427 276 A N 2.043 124.898 122.820 0.058 0.000 1.902 276 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 276 A C 2.269 179.817 177.584 -0.061 0.000 1.181 276 A CA 1.691 53.726 52.037 -0.004 0.000 0.623 276 A CB -0.824 18.187 19.000 0.019 0.000 0.818 276 A HN 0.551 nan 8.150 nan 0.000 0.443 277 N N -0.545 118.196 118.700 0.069 0.000 2.084 277 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 277 N C 1.635 177.167 175.510 0.036 0.000 1.030 277 N CA 2.057 55.146 53.050 0.066 0.000 0.849 277 N CB -0.185 38.470 38.487 0.281 0.000 1.012 277 N HN 0.438 nan 8.380 nan 0.000 0.423 278 T N 0.127 114.737 114.554 0.094 0.000 2.746 278 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 278 T C 2.135 176.853 174.700 0.031 0.000 1.039 278 T CA 1.274 63.421 62.100 0.079 0.000 1.142 278 T CB -0.326 68.609 68.868 0.111 0.000 0.866 278 T HN 0.201 nan 8.240 nan 0.000 0.444 279 S N 1.232 116.938 115.700 0.011 0.000 2.359 279 S HA -0.061 4.409 4.470 -0.000 0.000 0.224 279 S C 1.936 176.532 174.600 -0.006 0.000 1.035 279 S CA 0.818 59.016 58.200 -0.003 0.000 1.018 279 S CB -0.520 62.665 63.200 -0.025 0.000 0.876 279 S HN 0.238 nan 8.310 nan 0.000 0.448 280 L N 1.756 122.935 121.223 -0.073 0.000 2.046 280 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 280 L C 2.375 179.252 176.870 0.011 0.000 1.077 280 L CA 1.857 56.651 54.840 -0.077 0.000 0.747 280 L CB -1.090 40.816 42.059 -0.256 0.000 0.896 280 L HN 0.259 nan 8.230 nan 0.000 0.432 281 A N -0.452 122.360 122.820 -0.013 0.000 1.902 281 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 281 A C 2.272 179.847 177.584 -0.015 0.000 1.181 281 A CA 2.102 54.130 52.037 -0.016 0.000 0.623 281 A CB -0.845 18.142 19.000 -0.021 0.000 0.818 281 A HN 0.497 nan 8.150 nan 0.000 0.443 282 I N -2.212 118.362 120.570 0.007 0.000 2.252 282 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 282 I C 2.434 178.556 176.117 0.007 0.000 1.102 282 I CA 1.631 62.929 61.300 -0.003 0.000 1.385 282 I CB -0.393 37.612 38.000 0.010 0.000 1.064 282 I HN 0.528 nan 8.210 nan 0.000 0.414 283 Y N 1.042 121.315 120.300 -0.045 0.000 2.128 283 Y HA -0.344 4.206 4.550 -0.000 0.000 0.284 283 Y C 2.740 178.628 175.900 -0.020 0.000 1.154 283 Y CA 1.714 59.795 58.100 -0.032 0.000 1.149 283 Y CB -0.426 38.011 38.460 -0.037 0.000 0.976 283 Y HN 0.197 nan 8.280 nan 0.000 0.505 284 C N 0.085 119.428 119.300 0.072 0.000 2.429 284 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 284 C C 2.732 177.682 174.990 -0.067 0.000 1.262 284 C CA 1.428 60.464 59.018 0.030 0.000 1.733 284 C CB -1.260 26.523 27.740 0.071 0.000 2.010 284 C HN 0.576 nan 8.230 nan 0.000 0.483 285 R N 1.816 122.225 120.500 -0.152 0.000 2.083 285 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 285 R C 1.487 177.699 176.300 -0.146 0.000 1.137 285 R CA 2.062 58.029 56.100 -0.222 0.000 0.951 285 R CB -0.884 29.305 30.300 -0.186 0.000 0.851 285 R HN 0.451 nan 8.270 nan 0.000 0.434 286 D N -0.517 119.782 120.400 -0.168 0.000 2.347 286 D HA -0.022 4.618 4.640 -0.000 0.000 0.215 286 D C 0.441 176.616 176.300 -0.209 0.000 0.976 286 D CA 0.738 54.634 54.000 -0.173 0.000 0.884 286 D CB 0.057 40.749 40.800 -0.181 0.000 0.915 286 D HN 0.361 nan 8.370 nan 0.000 0.526 287 N N -0.747 117.797 118.700 -0.261 0.000 2.159 287 N HA 0.098 4.838 4.740 -0.000 0.000 0.217 287 N C 0.894 176.372 175.510 -0.055 0.000 1.223 287 N CA 0.394 53.308 53.050 -0.227 0.000 0.896 287 N CB 1.966 40.161 38.487 -0.487 0.000 1.064 287 N HN 0.062 nan 8.380 nan 0.000 0.518 288 G N 1.760 110.583 108.800 0.039 0.000 2.198 288 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 288 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 288 G C -0.205 174.753 174.900 0.097 0.000 1.042 288 G CA 0.037 45.223 45.100 0.143 0.000 0.791 288 G HN 0.218 nan 8.290 nan 0.000 0.502 289 L N -0.010 121.308 121.223 0.157 0.000 2.307 289 L HA 0.559 4.899 4.340 -0.000 0.000 0.282 289 L C 1.195 178.147 176.870 0.137 0.000 1.051 289 L CA -1.054 53.850 54.840 0.106 0.000 0.804 289 L CB 1.193 43.326 42.059 0.124 0.000 1.197 289 L HN 0.082 nan 8.230 nan 0.000 0.431 290 L N 3.674 124.879 121.223 -0.029 0.000 2.439 290 L HA 0.193 4.533 4.340 -0.000 0.000 0.269 290 L C -0.396 176.414 176.870 -0.100 0.000 1.179 290 L CA -0.233 54.567 54.840 -0.066 0.000 0.828 290 L CB 0.761 42.704 42.059 -0.194 0.000 1.106 290 L HN 0.375 nan 8.230 nan 0.000 0.467 291 L N 2.976 124.112 121.223 -0.145 0.000 2.345 291 L HA 0.333 4.673 4.340 -0.000 0.000 0.274 291 L C -0.536 176.149 176.870 -0.308 0.000 0.999 291 L CA -0.265 54.476 54.840 -0.165 0.000 0.849 291 L CB 0.921 42.934 42.059 -0.077 0.000 1.220 291 L HN 0.456 nan 8.230 nan 0.000 0.422 292 H N 5.360 124.135 119.070 -0.491 0.000 2.620 292 H HA 0.536 5.092 4.556 -0.000 0.000 0.313 292 H C -0.784 174.418 175.328 -0.210 0.000 1.075 292 H CA -0.412 55.308 56.048 -0.546 0.000 1.397 292 H CB 0.686 29.836 29.762 -1.019 0.000 1.446 292 H HN 0.490 nan 8.280 nan 0.000 0.493 293 I N 5.845 126.059 120.570 -0.593 0.000 2.354 293 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 293 I C 0.161 176.090 176.117 -0.314 0.000 0.989 293 I CA -0.410 60.689 61.300 -0.335 0.000 1.188 293 I CB 0.889 38.680 38.000 -0.348 0.000 1.342 293 I HN 0.728 nan 8.210 nan 0.000 0.457 294 H N 7.434 126.395 119.070 -0.181 0.000 2.473 294 H HA 0.312 4.868 4.556 0.000 0.000 0.327 294 H C 0.376 175.658 175.328 -0.077 0.000 1.105 294 H CA -0.448 55.457 56.048 -0.238 0.000 1.280 294 H CB 1.442 31.095 29.762 -0.180 0.000 1.450 294 H HN 0.584 nan 8.280 nan 0.000 0.492 295 R N 3.134 123.416 120.500 -0.364 0.000 2.568 295 R HA 0.387 4.727 4.340 -0.000 0.000 0.288 295 R C 0.200 176.489 176.300 -0.018 0.000 1.077 295 R CA -0.388 55.689 56.100 -0.039 0.000 1.102 295 R CB -0.049 30.198 30.300 -0.088 0.000 1.278 295 R HN 0.373 nan 8.270 nan 0.000 0.560 296 A N 1.582 124.485 122.820 0.139 0.000 2.598 296 A HA 0.007 4.327 4.320 -0.000 0.000 0.239 296 A C 0.968 178.550 177.584 -0.003 0.000 1.032 296 A CA 1.029 53.157 52.037 0.152 0.000 0.760 296 A CB -0.195 18.890 19.000 0.140 0.000 0.946 296 A HN 0.856 nan 8.150 nan 0.000 0.512 297 M N 0.258 119.846 119.600 -0.019 0.000 3.023 297 M HA -0.296 4.183 4.480 -0.000 0.000 0.214 297 M C 1.090 177.328 176.300 -0.104 0.000 0.575 297 M CA 1.835 57.084 55.300 -0.087 0.000 0.820 297 M CB -2.009 30.522 32.600 -0.116 0.000 2.925 297 M HN 1.287 nan 8.290 nan 0.000 0.297 298 H N -0.628 118.370 119.070 -0.120 0.000 2.353 298 H HA 0.153 4.709 4.556 -0.000 0.000 0.298 298 H C 1.706 176.995 175.328 -0.065 0.000 1.103 298 H CA 2.180 58.184 56.048 -0.075 0.000 1.293 298 H CB -0.575 29.167 29.762 -0.033 0.000 1.372 298 H HN 0.494 nan 8.280 nan 0.000 0.501 299 A N 1.101 123.357 122.820 -0.940 0.000 2.121 299 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 299 A C 2.503 179.925 177.584 -0.270 0.000 1.154 299 A CA 1.067 52.724 52.037 -0.634 0.000 0.679 299 A CB -0.714 17.907 19.000 -0.632 0.000 0.795 299 A HN 0.369 nan 8.150 nan 0.000 0.458 300 V N -0.211 119.582 119.914 -0.202 0.000 2.407 300 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 300 V C 2.233 178.292 176.094 -0.058 0.000 1.055 300 V CA 2.164 64.401 62.300 -0.105 0.000 1.049 300 V CB -0.510 31.261 31.823 -0.087 0.000 0.662 300 V HN 0.620 nan 8.190 nan 0.000 0.455 301 I N 0.557 121.092 120.570 -0.057 0.000 2.731 301 I HA -0.020 4.150 4.170 -0.000 0.000 0.260 301 I C 1.707 177.831 176.117 0.011 0.000 1.138 301 I CA 1.153 62.447 61.300 -0.009 0.000 1.461 301 I CB -0.092 37.912 38.000 0.008 0.000 1.128 301 I HN 0.459 nan 8.210 nan 0.000 0.438 302 D N -0.434 119.957 120.400 -0.015 0.000 2.433 302 D HA -0.026 4.614 4.640 -0.000 0.000 0.211 302 D C 1.815 178.097 176.300 -0.030 0.000 1.114 302 D CA -0.050 53.950 54.000 0.000 0.000 0.837 302 D CB 0.064 40.898 40.800 0.058 0.000 0.984 302 D HN -0.059 nan 8.370 nan 0.000 0.505 303 R N 0.261 120.735 120.500 -0.042 0.000 2.062 303 R HA 0.063 4.403 4.340 -0.000 0.000 0.226 303 R C 0.487 176.802 176.300 0.025 0.000 1.125 303 R CA 1.078 57.158 56.100 -0.033 0.000 0.966 303 R CB -0.152 30.108 30.300 -0.066 0.000 0.861 303 R HN 0.039 nan 8.270 nan 0.000 0.433 304 Q N 0.597 120.426 119.800 0.050 0.000 2.293 304 Q HA 0.057 4.397 4.340 -0.000 0.000 0.251 304 Q C 0.371 176.439 176.000 0.113 0.000 0.930 304 Q CA 0.133 55.983 55.803 0.080 0.000 0.893 304 Q CB 1.261 30.053 28.738 0.091 0.000 1.215 304 Q HN 0.252 nan 8.270 nan 0.000 0.425 305 R N 2.200 122.767 120.500 0.110 0.000 2.148 305 R HA -0.121 4.219 4.340 -0.000 0.000 0.223 305 R C 1.266 177.640 176.300 0.122 0.000 1.088 305 R CA 1.478 57.652 56.100 0.123 0.000 0.985 305 R CB 0.299 30.661 30.300 0.103 0.000 0.880 305 R HN 0.650 nan 8.270 nan 0.000 0.451 306 N N -1.144 117.633 118.700 0.128 0.000 2.405 306 N HA -0.102 4.638 4.740 -0.000 0.000 0.175 306 N C -0.351 175.283 175.510 0.208 0.000 1.051 306 N CA 0.671 53.803 53.050 0.137 0.000 0.899 306 N CB 0.107 38.664 38.487 0.116 0.000 1.000 306 N HN 0.255 nan 8.380 nan 0.000 0.451 307 H N -1.437 117.703 119.070 0.117 0.000 3.026 307 H HA 0.566 5.122 4.556 -0.000 0.000 0.352 307 H C 0.065 175.502 175.328 0.181 0.000 1.090 307 H CA 0.360 56.509 56.048 0.169 0.000 1.268 307 H CB 1.423 31.271 29.762 0.143 0.000 1.816 307 H HN 0.335 nan 8.280 nan 0.000 0.518 308 G N 2.583 111.359 108.800 -0.040 0.000 2.250 308 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.196 308 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.196 308 G C -1.554 173.381 174.900 0.058 0.000 1.308 308 G CA -0.301 44.809 45.100 0.015 0.000 1.207 308 G HN 0.644 nan 8.290 nan 0.000 0.505 309 I N 0.928 121.519 120.570 0.035 0.000 2.534 309 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 309 I C 0.101 176.279 176.117 0.102 0.000 1.077 309 I CA -0.886 60.447 61.300 0.054 0.000 1.051 309 I CB 2.055 40.061 38.000 0.009 0.000 1.234 309 I HN 0.675 nan 8.210 nan 0.000 0.425 310 H N 4.720 123.817 119.070 0.045 0.000 2.790 310 H HA 0.011 4.567 4.556 -0.000 0.000 0.358 310 H C 0.428 175.825 175.328 0.115 0.000 1.103 310 H CA 0.630 56.736 56.048 0.096 0.000 1.426 310 H CB 1.093 30.902 29.762 0.078 0.000 1.424 310 H HN 0.656 nan 8.280 nan 0.000 0.599 311 F N 5.155 124.878 119.950 -0.378 0.000 2.202 311 F HA -0.221 4.306 4.527 -0.000 0.000 0.301 311 F C 2.603 178.336 175.800 -0.113 0.000 1.082 311 F CA 1.747 59.603 58.000 -0.240 0.000 1.313 311 F CB -0.114 38.608 39.000 -0.463 0.000 1.024 311 F HN 0.681 nan 8.300 nan 0.000 0.495 312 R N -0.304 120.252 120.500 0.093 0.000 2.127 312 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 312 R C 1.765 178.033 176.300 -0.054 0.000 1.134 312 R CA 1.977 58.096 56.100 0.031 0.000 0.975 312 R CB -1.447 29.054 30.300 0.336 0.000 0.865 312 R HN 0.301 nan 8.270 nan 0.000 0.447 313 V N 1.850 121.767 119.914 0.005 0.000 2.379 313 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 313 V C 2.462 178.591 176.094 0.058 0.000 1.044 313 V CA 1.416 63.726 62.300 0.016 0.000 1.036 313 V CB -0.394 31.424 31.823 -0.009 0.000 0.664 313 V HN 0.268 nan 8.190 nan 0.000 0.453 314 L N 0.266 121.490 121.223 0.001 0.000 2.131 314 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 314 L C 2.650 179.452 176.870 -0.112 0.000 1.092 314 L CA 1.448 56.342 54.840 0.091 0.000 0.759 314 L CB -0.765 41.354 42.059 0.099 0.000 0.903 314 L HN 0.365 nan 8.230 nan 0.000 0.435 315 A N 0.060 122.539 122.820 -0.568 0.000 1.898 315 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 315 A C 2.343 179.816 177.584 -0.187 0.000 1.183 315 A CA 1.091 52.803 52.037 -0.542 0.000 0.622 315 A CB -0.201 18.332 19.000 -0.778 0.000 0.824 315 A HN 0.254 nan 8.150 nan 0.000 0.444 316 K N -0.065 120.317 120.400 -0.030 0.000 2.063 316 K HA -0.104 4.216 4.320 -0.000 0.000 0.208 316 K C 2.314 178.972 176.600 0.097 0.000 1.048 316 K CA 1.178 57.573 56.287 0.180 0.000 0.928 316 K CB -0.349 32.292 32.500 0.235 0.000 0.713 316 K HN 0.427 nan 8.250 nan 0.000 0.442 317 A N 1.953 124.821 122.820 0.080 0.000 1.908 317 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 317 A C 2.070 179.664 177.584 0.017 0.000 1.181 317 A CA 1.178 53.229 52.037 0.023 0.000 0.627 317 A CB -0.631 18.425 19.000 0.094 0.000 0.818 317 A HN 0.262 nan 8.150 nan 0.000 0.445 318 L N -0.409 120.840 121.223 0.043 0.000 2.046 318 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 318 L C 2.499 179.246 176.870 -0.205 0.000 1.077 318 L CA 2.364 57.104 54.840 -0.166 0.000 0.747 318 L CB -0.828 40.883 42.059 -0.580 0.000 0.896 318 L HN 0.546 nan 8.230 nan 0.000 0.432 319 R N -0.617 119.744 120.500 -0.233 0.000 2.096 319 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 319 R C 2.295 178.441 176.300 -0.257 0.000 1.127 319 R CA 1.741 57.647 56.100 -0.323 0.000 0.968 319 R CB -0.081 29.862 30.300 -0.595 0.000 0.861 319 R HN 0.373 nan 8.270 nan 0.000 0.440 320 M N -1.081 118.382 119.600 -0.229 0.000 2.123 320 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 320 M C 2.477 178.688 176.300 -0.148 0.000 1.069 320 M CA 1.583 56.659 55.300 -0.372 0.000 1.133 320 M CB -0.183 31.897 32.600 -0.867 0.000 1.356 320 M HN 0.108 nan 8.290 nan 0.000 0.415 321 S N -0.292 115.370 115.700 -0.064 0.000 2.368 321 S HA 0.065 4.535 4.470 -0.000 0.000 0.225 321 S C 0.835 175.464 174.600 0.050 0.000 1.030 321 S CA 1.291 59.547 58.200 0.093 0.000 0.999 321 S CB -0.353 62.980 63.200 0.222 0.000 0.844 321 S HN 0.665 nan 8.310 nan 0.000 0.459 322 G N -1.568 107.209 108.800 -0.038 0.000 3.088 322 G HA2 0.427 4.387 3.960 -0.000 0.000 0.620 322 G HA3 0.427 4.387 3.960 -0.000 0.000 0.620 322 G C -0.339 174.493 174.900 -0.114 0.000 1.375 322 G CA -0.458 44.599 45.100 -0.070 0.000 1.016 322 G HN 1.031 nan 8.290 nan 0.000 0.590 323 G N 0.635 109.347 108.800 -0.147 0.000 2.691 323 G HA2 0.593 4.553 3.960 -0.000 0.000 0.298 323 G HA3 0.593 4.553 3.960 -0.000 0.000 0.298 323 G C -0.135 174.678 174.900 -0.146 0.000 1.471 323 G CA 0.232 45.231 45.100 -0.167 0.000 0.912 323 G HN 0.356 nan 8.290 nan 0.000 0.553 324 D N -0.230 120.085 120.400 -0.142 0.000 2.240 324 D HA 0.076 4.716 4.640 -0.000 0.000 0.206 324 D C 0.387 176.712 176.300 0.042 0.000 0.963 324 D CA 1.093 55.046 54.000 -0.079 0.000 0.863 324 D CB 0.323 41.060 40.800 -0.106 0.000 0.973 324 D HN 0.590 nan 8.370 nan 0.000 0.501 325 H N -0.741 118.203 119.070 -0.211 0.000 2.622 325 H HA 0.546 5.102 4.556 0.000 0.000 0.363 325 H C -1.104 174.026 175.328 -0.331 0.000 1.151 325 H CA -1.074 54.826 56.048 -0.247 0.000 1.184 325 H CB 2.682 32.293 29.762 -0.253 0.000 1.643 325 H HN -0.125 nan 8.280 nan 0.000 0.531 326 L N 1.948 123.096 121.223 -0.125 0.000 2.455 326 L HA 0.237 4.577 4.340 -0.000 0.000 0.264 326 L C -0.735 176.101 176.870 -0.057 0.000 0.968 326 L CA -0.429 54.327 54.840 -0.140 0.000 0.827 326 L CB 1.570 43.553 42.059 -0.127 0.000 1.317 326 L HN 0.711 nan 8.230 nan 0.000 0.407 327 H N 2.588 121.531 119.070 -0.211 0.000 2.964 327 H HA 0.138 4.694 4.556 0.000 0.000 0.328 327 H C 0.312 175.550 175.328 -0.150 0.000 1.030 327 H CA 0.893 56.820 56.048 -0.202 0.000 1.445 327 H CB 0.978 30.545 29.762 -0.326 0.000 1.449 327 H HN 0.780 nan 8.280 nan 0.000 0.581 328 S N 1.814 117.504 115.700 -0.016 0.000 2.578 328 S HA 0.292 4.762 4.470 -0.000 0.000 0.228 328 S C 0.979 175.693 174.600 0.191 0.000 1.022 328 S CA 0.110 58.435 58.200 0.208 0.000 0.967 328 S CB 1.118 64.535 63.200 0.361 0.000 0.914 328 S HN 1.080 nan 8.310 nan 0.000 0.515 329 G N 1.182 109.982 108.800 0.000 0.000 2.746 329 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.685 329 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.685 329 G C 0.276 175.235 174.900 0.097 0.000 1.350 329 G CA 0.149 45.266 45.100 0.028 0.000 0.837 329 G HN 0.982 nan 8.290 nan 0.000 0.564 330 T N -3.098 111.487 114.554 0.050 0.000 2.971 330 T HA 0.442 4.792 4.350 -0.000 0.000 0.252 330 T C 1.873 176.636 174.700 0.106 0.000 1.022 330 T CA 1.375 63.515 62.100 0.066 0.000 0.980 330 T CB 0.404 69.198 68.868 -0.124 0.000 1.044 330 T HN 2.290 nan 8.240 nan 0.000 0.501 331 V N 0.824 120.773 119.914 0.058 0.000 0.481 331 V HA -0.336 3.784 4.120 -0.000 0.000 0.092 331 V C 2.076 178.177 176.094 0.012 0.000 2.400 331 V CA 1.977 64.293 62.300 0.027 0.000 3.646 331 V CB -1.992 29.828 31.823 -0.004 0.000 0.927 331 V HN 0.708 nan 8.190 nan 0.000 0.973 332 V N -1.082 118.812 119.914 -0.034 0.000 3.650 332 V HA 0.675 4.795 4.120 -0.000 0.000 0.271 332 V C 1.247 177.250 176.094 -0.152 0.000 1.281 332 V CA 1.288 63.555 62.300 -0.054 0.000 1.120 332 V CB -0.056 31.738 31.823 -0.048 0.000 0.856 332 V HN 0.930 nan 8.190 nan 0.000 0.443 333 G N 1.298 109.953 108.800 -0.240 0.000 2.543 333 G HA2 0.290 4.250 3.960 -0.000 0.000 0.267 333 G HA3 0.290 4.250 3.960 -0.000 0.000 0.267 333 G C 0.724 175.319 174.900 -0.508 0.000 1.406 333 G CA 0.006 44.874 45.100 -0.388 0.000 1.048 333 G HN 0.477 nan 8.290 nan 0.000 0.548 334 K N -1.230 118.627 120.400 -0.904 0.000 2.365 334 K HA 0.131 4.451 4.320 -0.000 0.000 0.199 334 K C 0.181 176.575 176.600 -0.342 0.000 1.045 334 K CA 0.448 56.186 56.287 -0.915 0.000 0.962 334 K CB -0.248 31.707 32.500 -0.908 0.000 0.759 334 K HN 0.181 nan 8.250 nan 0.000 0.469 335 L N 1.649 122.727 121.223 -0.241 0.000 2.334 335 L HA 0.318 4.658 4.340 -0.000 0.000 0.273 335 L C -0.122 176.708 176.870 -0.068 0.000 1.013 335 L CA -0.979 53.781 54.840 -0.132 0.000 0.816 335 L CB 1.847 43.843 42.059 -0.104 0.000 1.278 335 L HN 0.072 nan 8.230 nan 0.000 0.431 336 E N 0.784 120.961 120.200 -0.039 0.000 2.392 336 E HA 0.470 4.820 4.350 -0.000 0.000 0.264 336 E C -0.336 176.289 176.600 0.041 0.000 1.024 336 E CA -0.036 56.370 56.400 0.009 0.000 0.903 336 E CB 0.797 30.501 29.700 0.007 0.000 0.963 336 E HN 0.756 nan 8.360 nan 0.000 0.432 337 G N 4.194 113.035 108.800 0.068 0.000 1.985 337 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.303 337 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.303 337 G C -1.051 173.900 174.900 0.084 0.000 1.730 337 G CA -0.709 44.456 45.100 0.107 0.000 1.057 337 G HN 0.458 nan 8.290 nan 0.000 0.515 338 E N 2.227 122.486 120.200 0.098 0.000 2.392 338 E HA 0.123 4.473 4.350 -0.000 0.000 0.264 338 E C 1.463 178.068 176.600 0.009 0.000 1.024 338 E CA -0.528 55.910 56.400 0.063 0.000 0.903 338 E CB 1.032 30.782 29.700 0.083 0.000 0.963 338 E HN 0.586 nan 8.360 nan 0.000 0.432 339 R N 3.250 123.739 120.500 -0.019 0.000 2.097 339 R HA -0.201 4.139 4.340 -0.000 0.000 0.236 339 R C 1.451 177.686 176.300 -0.109 0.000 1.135 339 R CA 1.856 57.910 56.100 -0.077 0.000 0.934 339 R CB 0.063 30.327 30.300 -0.060 0.000 0.846 339 R HN 0.509 nan 8.270 nan 0.000 0.431 340 E N 0.048 120.209 120.200 -0.065 0.000 2.072 340 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 340 E C 2.168 178.720 176.600 -0.079 0.000 0.985 340 E CA 1.010 57.368 56.400 -0.070 0.000 0.801 340 E CB -0.377 29.300 29.700 -0.038 0.000 0.750 340 E HN 0.208 nan 8.360 nan 0.000 0.452 341 V N 1.567 121.465 119.914 -0.025 0.000 2.282 341 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 341 V C 2.356 178.318 176.094 -0.221 0.000 1.057 341 V CA 2.341 64.661 62.300 0.034 0.000 1.032 341 V CB -0.895 31.059 31.823 0.219 0.000 0.645 341 V HN 0.303 nan 8.190 nan 0.000 0.447 342 T N 0.074 114.401 114.554 -0.380 0.000 2.777 342 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 342 T C 1.879 176.116 174.700 -0.771 0.000 1.040 342 T CA 1.341 62.911 62.100 -0.883 0.000 1.141 342 T CB -0.270 68.357 68.868 -0.402 0.000 0.868 342 T HN 0.300 nan 8.240 nan 0.000 0.444 343 L N 0.816 121.788 121.223 -0.417 0.000 2.083 343 L HA -0.029 4.311 4.340 -0.000 0.000 0.209 343 L C 2.958 179.704 176.870 -0.207 0.000 1.083 343 L CA 1.243 55.909 54.840 -0.290 0.000 0.752 343 L CB -1.067 40.871 42.059 -0.202 0.000 0.899 343 L HN 0.357 nan 8.230 nan 0.000 0.433 344 G N 1.244 109.932 108.800 -0.187 0.000 2.480 344 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.216 344 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.216 344 G C 1.285 176.210 174.900 0.043 0.000 1.200 344 G CA 1.192 46.260 45.100 -0.053 0.000 0.782 344 G HN 0.489 nan 8.290 nan 0.000 0.554 345 F N 0.524 120.556 119.950 0.137 0.000 2.558 345 F HA 0.271 4.798 4.527 0.000 0.000 0.298 345 F C 2.183 178.065 175.800 0.137 0.000 1.119 345 F CA -0.002 58.092 58.000 0.156 0.000 1.451 345 F CB -0.848 38.282 39.000 0.218 0.000 1.091 345 F HN 0.001 nan 8.300 nan 0.000 0.563 346 V N 1.314 121.303 119.914 0.124 0.000 2.343 346 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 346 V C 2.129 178.298 176.094 0.125 0.000 1.051 346 V CA 2.303 64.704 62.300 0.169 0.000 1.036 346 V CB -0.676 31.185 31.823 0.064 0.000 0.654 346 V HN 0.231 nan 8.190 nan 0.000 0.451 347 D N 0.082 120.532 120.400 0.084 0.000 2.117 347 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 347 D C 2.118 178.506 176.300 0.147 0.000 0.987 347 D CA 1.156 55.213 54.000 0.095 0.000 0.829 347 D CB -0.281 40.563 40.800 0.074 0.000 0.961 347 D HN 0.329 nan 8.370 nan 0.000 0.460 348 L N -0.163 121.183 121.223 0.204 0.000 2.131 348 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 348 L C 2.449 179.414 176.870 0.159 0.000 1.092 348 L CA 0.805 55.829 54.840 0.307 0.000 0.759 348 L CB -0.249 42.012 42.059 0.336 0.000 0.903 348 L HN 0.058 nan 8.230 nan 0.000 0.435 349 M N -1.427 118.218 119.600 0.074 0.000 2.236 349 M HA -0.103 4.377 4.480 -0.000 0.000 0.266 349 M C 2.246 178.449 176.300 -0.162 0.000 1.070 349 M CA 1.566 56.818 55.300 -0.080 0.000 1.137 349 M CB -0.050 32.571 32.600 0.035 0.000 1.378 349 M HN 0.108 nan 8.290 nan 0.000 0.426 350 R N -0.601 119.867 120.500 -0.054 0.000 2.167 350 R HA 0.104 4.444 4.340 -0.000 0.000 0.201 350 R C -0.082 176.197 176.300 -0.035 0.000 1.024 350 R CA 0.255 56.329 56.100 -0.043 0.000 1.053 350 R CB 0.247 30.561 30.300 0.023 0.000 0.987 350 R HN 0.238 nan 8.270 nan 0.000 0.493 351 D N 0.306 120.721 120.400 0.024 0.000 2.312 351 D HA 0.004 4.644 4.640 -0.000 0.000 0.248 351 D C 0.298 176.698 176.300 0.168 0.000 1.086 351 D CA -0.064 53.996 54.000 0.100 0.000 0.948 351 D CB 1.231 42.119 40.800 0.147 0.000 1.162 351 D HN -0.105 nan 8.370 nan 0.000 0.446 352 D N -0.839 119.688 120.400 0.213 0.000 2.194 352 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 352 D C -0.611 175.950 176.300 0.435 0.000 0.964 352 D CA 0.721 54.904 54.000 0.304 0.000 0.846 352 D CB 0.242 41.172 40.800 0.217 0.000 0.962 352 D HN 0.330 nan 8.370 nan 0.000 0.490 353 Y N -0.202 120.221 120.300 0.205 0.000 2.362 353 Y HA 0.440 4.990 4.550 -0.000 0.000 0.326 353 Y C -1.682 174.295 175.900 0.127 0.000 1.083 353 Y CA -0.964 57.221 58.100 0.141 0.000 1.073 353 Y CB 1.597 40.108 38.460 0.085 0.000 1.211 353 Y HN -0.324 nan 8.280 nan 0.000 0.433 354 V N 5.980 125.792 119.914 -0.169 0.000 2.443 354 V HA 0.333 4.453 4.120 -0.000 0.000 0.293 354 V C -0.470 175.501 176.094 -0.204 0.000 1.021 354 V CA -1.007 61.253 62.300 -0.066 0.000 0.848 354 V CB 1.487 33.339 31.823 0.049 0.000 0.998 354 V HN 0.711 nan 8.190 nan 0.000 0.424 355 E N 2.868 123.024 120.200 -0.072 0.000 2.366 355 E HA 0.179 4.529 4.350 -0.000 0.000 0.266 355 E C -0.004 176.580 176.600 -0.026 0.000 1.051 355 E CA -0.593 55.779 56.400 -0.047 0.000 0.884 355 E CB 1.343 31.081 29.700 0.064 0.000 1.006 355 E HN 0.534 nan 8.360 nan 0.000 0.417 356 K N 2.129 122.517 120.400 -0.020 0.000 2.543 356 K HA -0.158 4.162 4.320 -0.000 0.000 0.279 356 K C -0.695 175.884 176.600 -0.035 0.000 1.001 356 K CA 0.837 57.112 56.287 -0.020 0.000 1.088 356 K CB 0.264 32.756 32.500 -0.013 0.000 0.863 356 K HN 0.379 nan 8.250 nan 0.000 0.488 357 D N 3.822 124.186 120.400 -0.061 0.000 2.362 357 D HA 0.141 4.781 4.640 -0.000 0.000 0.232 357 D C 0.207 176.437 176.300 -0.117 0.000 1.329 357 D CA -0.475 53.484 54.000 -0.068 0.000 0.944 357 D CB 0.603 41.381 40.800 -0.036 0.000 1.471 357 D HN 0.480 nan 8.370 nan 0.000 0.533 358 R N 0.808 121.207 120.500 -0.168 0.000 2.189 358 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 358 R C 1.764 177.960 176.300 -0.174 0.000 1.092 358 R CA 1.015 56.959 56.100 -0.259 0.000 0.989 358 R CB -0.430 29.691 30.300 -0.300 0.000 0.876 358 R HN 0.484 nan 8.270 nan 0.000 0.457 359 S N 0.137 115.772 115.700 -0.109 0.000 2.507 359 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 359 S C 1.456 176.020 174.600 -0.059 0.000 0.988 359 S CA 0.533 58.689 58.200 -0.073 0.000 0.944 359 S CB 0.035 63.203 63.200 -0.054 0.000 0.762 359 S HN 0.246 nan 8.310 nan 0.000 0.526 360 R N -0.055 120.406 120.500 -0.064 0.000 2.565 360 R HA 0.309 4.649 4.340 -0.000 0.000 0.347 360 R C 1.110 177.395 176.300 -0.025 0.000 1.010 360 R CA 0.299 56.373 56.100 -0.042 0.000 1.126 360 R CB 0.501 30.777 30.300 -0.040 0.000 1.331 360 R HN 0.494 nan 8.270 nan 0.000 0.552 361 G N 1.832 110.597 108.800 -0.059 0.000 2.143 361 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.248 361 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.248 361 G C 0.126 175.061 174.900 0.058 0.000 0.991 361 G CA -0.064 45.021 45.100 -0.024 0.000 0.689 361 G HN 0.274 nan 8.290 nan 0.000 0.522 362 I N 0.777 121.338 120.570 -0.014 0.000 2.281 362 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 362 I C 1.264 177.356 176.117 -0.042 0.000 1.085 362 I CA -0.909 60.418 61.300 0.045 0.000 1.257 362 I CB 0.463 38.482 38.000 0.032 0.000 1.430 362 I HN 0.063 nan 8.210 nan 0.000 0.489 363 Y N 5.264 125.441 120.300 -0.207 0.000 2.475 363 Y HA 0.157 4.707 4.550 0.000 0.000 0.289 363 Y C 0.248 175.811 175.900 -0.561 0.000 1.121 363 Y CA 0.486 58.326 58.100 -0.434 0.000 1.257 363 Y CB -0.016 38.030 38.460 -0.690 0.000 1.026 363 Y HN 0.300 nan 8.280 nan 0.000 0.555 364 F N -1.650 118.395 119.950 0.159 0.000 2.578 364 F HA 0.371 4.898 4.527 0.000 0.000 0.311 364 F C 0.215 175.994 175.800 -0.035 0.000 1.094 364 F CA -1.822 56.216 58.000 0.063 0.000 0.923 364 F CB 1.005 40.034 39.000 0.048 0.000 1.230 364 F HN -0.492 nan 8.300 nan 0.000 0.450 365 T N 2.009 116.634 114.554 0.119 0.000 2.853 365 T HA 0.216 4.566 4.350 -0.000 0.000 0.298 365 T C -0.368 174.220 174.700 -0.186 0.000 0.978 365 T CA 0.068 62.114 62.100 -0.089 0.000 1.152 365 T CB 0.451 69.254 68.868 -0.108 0.000 0.914 365 T HN 0.433 nan 8.240 nan 0.000 0.539 366 Q N 2.794 122.394 119.800 -0.334 0.000 2.333 366 Q HA 0.346 4.686 4.340 -0.000 0.000 0.268 366 Q C -1.449 174.221 176.000 -0.551 0.000 1.007 366 Q CA -0.675 54.871 55.803 -0.428 0.000 0.810 366 Q CB 1.268 29.774 28.738 -0.386 0.000 1.264 366 Q HN 0.487 nan 8.270 nan 0.000 0.452 367 D N 3.944 124.072 120.400 -0.453 0.000 2.381 367 D HA 0.264 4.904 4.640 -0.000 0.000 0.235 367 D C -1.108 175.072 176.300 -0.199 0.000 1.068 367 D CA -0.240 53.660 54.000 -0.166 0.000 0.832 367 D CB 0.426 41.266 40.800 0.066 0.000 1.101 367 D HN 0.476 nan 8.370 nan 0.000 0.515 371 M N 3.883 123.560 119.600 0.129 0.000 2.252 371 M HA 0.208 4.688 4.480 -0.000 0.000 0.348 371 M C -2.618 173.664 176.300 -0.031 0.000 1.334 371 M CA -0.906 54.431 55.300 0.062 0.000 1.071 371 M CB 0.275 32.942 32.600 0.112 0.000 1.763 371 M HN -0.146 nan 8.290 nan 0.000 0.452 372 P HA 0.111 nan 4.420 nan 0.000 0.268 372 P C -0.492 176.712 177.300 -0.161 0.000 1.208 372 P CA -0.091 62.966 63.100 -0.072 0.000 0.777 372 P CB 0.360 32.028 31.700 -0.052 0.000 0.875 373 G N 0.807 109.529 108.800 -0.129 0.000 2.476 373 G HA2 0.450 4.410 3.960 -0.000 0.000 0.269 373 G HA3 0.450 4.410 3.960 -0.000 0.000 0.269 373 G C -0.846 173.978 174.900 -0.127 0.000 1.195 373 G CA -0.412 44.586 45.100 -0.169 0.000 0.843 373 G HN 0.359 nan 8.290 nan 0.000 0.545 374 V N 2.535 122.358 119.914 -0.151 0.000 2.427 374 V HA 0.292 4.412 4.120 -0.000 0.000 0.286 374 V C 0.386 176.450 176.094 -0.049 0.000 1.034 374 V CA -0.722 61.515 62.300 -0.105 0.000 0.893 374 V CB 1.487 33.213 31.823 -0.161 0.000 0.982 374 V HN 0.822 nan 8.190 nan 0.000 0.452 375 M N 9.669 129.263 119.600 -0.011 0.000 2.251 375 M HA 0.295 4.775 4.480 -0.000 0.000 0.346 375 M C -2.300 173.943 176.300 -0.096 0.000 1.499 375 M CA -1.170 54.101 55.300 -0.050 0.000 1.128 375 M CB 0.618 33.165 32.600 -0.088 0.000 1.809 375 M HN 0.358 nan 8.290 nan 0.000 0.464 376 P HA 0.104 nan 4.420 nan 0.000 0.276 376 P C -1.253 175.895 177.300 -0.254 0.000 1.230 376 P CA -0.221 62.837 63.100 -0.071 0.000 0.776 376 P CB 0.642 32.392 31.700 0.082 0.000 0.888 377 V N 3.065 122.798 119.914 -0.303 0.000 2.357 377 V HA 0.480 4.600 4.120 -0.000 0.000 0.284 377 V C 0.527 176.308 176.094 -0.521 0.000 1.018 377 V CA -0.822 61.207 62.300 -0.451 0.000 0.841 377 V CB 1.101 32.617 31.823 -0.512 0.000 0.991 377 V HN 0.679 nan 8.190 nan 0.000 0.437 378 A N 3.992 126.444 122.820 -0.614 0.000 2.276 378 A HA 0.802 5.122 4.320 -0.000 0.000 0.300 378 A C 0.126 177.441 177.584 -0.448 0.000 1.235 378 A CA -0.171 51.528 52.037 -0.564 0.000 0.867 378 A CB 0.876 19.392 19.000 -0.806 0.000 1.137 378 A HN 0.935 nan 8.150 nan 0.000 0.527 379 S N 1.809 117.315 115.700 -0.323 0.000 2.543 379 S HA 0.706 5.176 4.470 -0.000 0.000 0.273 379 S C -0.555 173.940 174.600 -0.176 0.000 1.152 379 S CA 0.450 58.495 58.200 -0.257 0.000 0.910 379 S CB 1.092 64.211 63.200 -0.134 0.000 1.105 379 S HN 2.626 nan 8.310 nan 0.000 0.465 380 G N 1.800 110.478 108.800 -0.204 0.000 2.949 380 G HA2 0.457 4.417 3.960 -0.000 0.000 0.658 380 G HA3 0.457 4.417 3.960 -0.000 0.000 0.658 380 G C 0.876 175.607 174.900 -0.282 0.000 1.194 380 G CA 0.394 45.385 45.100 -0.183 0.000 1.204 380 G HN 2.232 nan 8.290 nan 0.000 0.524 381 G N 0.185 108.840 108.800 -0.242 0.000 2.147 381 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.244 381 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.244 381 G C 0.605 175.449 174.900 -0.093 0.000 1.005 381 G CA 0.875 45.807 45.100 -0.280 0.000 0.713 381 G HN 2.272 nan 8.290 nan 0.000 0.515 382 I N -1.681 118.816 120.570 -0.121 0.000 2.577 382 I HA 0.939 5.109 4.170 -0.000 0.000 0.305 382 I C 0.274 176.591 176.117 0.334 0.000 0.986 382 I CA -1.247 60.049 61.300 -0.006 0.000 1.189 382 I CB 1.439 39.269 38.000 -0.282 0.000 1.355 382 I HN 0.345 nan 8.210 nan 0.000 0.476 383 H N 1.595 121.040 119.070 0.626 0.000 2.947 383 H HA 0.469 5.025 4.556 -0.000 0.000 0.290 383 H C 0.660 176.147 175.328 0.265 0.000 1.430 383 H CA -0.421 55.788 56.048 0.269 0.000 1.189 383 H CB 0.509 30.159 29.762 -0.187 0.000 1.875 383 H HN 0.335 nan 8.280 nan 0.000 0.568 384 V N -2.858 117.213 119.914 0.261 0.000 2.380 384 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 384 V C 1.370 177.469 176.094 0.008 0.000 1.063 384 V CA 1.839 64.141 62.300 0.004 0.000 1.055 384 V CB -1.262 30.476 31.823 -0.141 0.000 0.657 384 V HN 0.779 nan 8.190 nan 0.000 0.455 385 W N -0.267 121.162 121.300 0.216 0.000 2.525 385 W HA 0.030 4.690 4.660 -0.000 0.000 0.259 385 W C 2.614 179.090 176.519 -0.071 0.000 1.253 385 W CA 1.094 58.474 57.345 0.057 0.000 1.262 385 W CB -0.453 29.073 29.460 0.110 0.000 1.122 385 W HN 0.353 nan 8.180 nan 0.000 0.607 386 H N -0.870 118.310 119.070 0.183 0.000 2.535 386 H HA -0.009 4.547 4.556 -0.000 0.000 0.273 386 H C 1.909 177.327 175.328 0.151 0.000 0.983 386 H CA 1.067 57.183 56.048 0.113 0.000 1.238 386 H CB -0.404 29.367 29.762 0.015 0.000 1.412 386 H HN 0.176 nan 8.280 nan 0.000 0.562 387 M N 1.509 121.263 119.600 0.257 0.000 2.073 387 M HA -0.090 4.390 4.480 -0.000 0.000 0.258 387 M C -0.935 175.464 176.300 0.164 0.000 1.070 387 M CA 1.701 57.124 55.300 0.206 0.000 1.103 387 M CB -0.931 31.733 32.600 0.107 0.000 1.321 387 M HN 0.058 nan 8.290 nan 0.000 0.405 388 P HA -0.100 nan 4.420 nan 0.000 0.215 388 P C 1.128 178.502 177.300 0.122 0.000 1.153 388 P CA 2.270 65.440 63.100 0.116 0.000 0.853 388 P CB -0.373 31.395 31.700 0.114 0.000 0.788 389 A N -0.815 122.093 122.820 0.147 0.000 1.933 389 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 389 A C 2.240 179.904 177.584 0.134 0.000 1.175 389 A CA 1.381 53.495 52.037 0.128 0.000 0.628 389 A CB -1.630 17.461 19.000 0.151 0.000 0.814 389 A HN 0.104 nan 8.150 nan 0.000 0.444 390 L N -0.623 120.717 121.223 0.195 0.000 2.017 390 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 390 L C 2.521 179.567 176.870 0.293 0.000 1.073 390 L CA 1.175 56.187 54.840 0.287 0.000 0.745 390 L CB -0.595 41.609 42.059 0.243 0.000 0.894 390 L HN 0.239 nan 8.230 nan 0.000 0.432 391 V N -0.363 119.666 119.914 0.191 0.000 2.407 391 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 391 V C 2.557 178.717 176.094 0.109 0.000 1.055 391 V CA 1.741 64.130 62.300 0.148 0.000 1.049 391 V CB -0.528 31.359 31.823 0.106 0.000 0.662 391 V HN 0.486 nan 8.190 nan 0.000 0.455 392 E N 0.288 120.536 120.200 0.080 0.000 2.072 392 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 392 E C 2.178 178.764 176.600 -0.024 0.000 0.985 392 E CA 1.421 57.840 56.400 0.031 0.000 0.801 392 E CB -0.072 29.644 29.700 0.028 0.000 0.750 392 E HN 0.607 nan 8.360 nan 0.000 0.452 393 I N -0.307 120.218 120.570 -0.075 0.000 2.202 393 I HA -0.239 3.931 4.170 -0.000 0.000 0.242 393 I C 1.967 177.850 176.117 -0.389 0.000 1.091 393 I CA 1.143 62.257 61.300 -0.310 0.000 1.368 393 I CB -0.183 37.492 38.000 -0.542 0.000 1.058 393 I HN 0.035 nan 8.210 nan 0.000 0.410 394 F N 0.126 120.071 119.950 -0.008 0.000 2.505 394 F HA 0.340 4.867 4.527 0.000 0.000 0.289 394 F C 1.645 177.445 175.800 0.001 0.000 1.101 394 F CA 0.601 58.595 58.000 -0.010 0.000 1.446 394 F CB -0.647 38.343 39.000 -0.016 0.000 1.123 394 F HN 0.142 nan 8.300 nan 0.000 0.564 395 G N 0.804 109.704 108.800 0.167 0.000 2.645 395 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.239 395 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.239 395 G C 0.216 175.185 174.900 0.116 0.000 1.331 395 G CA 0.170 45.337 45.100 0.111 0.000 0.890 395 G HN 0.160 nan 8.290 nan 0.000 0.572 396 D N 0.519 120.970 120.400 0.085 0.000 2.183 396 D HA 0.063 4.703 4.640 -0.000 0.000 0.203 396 D C 0.986 177.324 176.300 0.064 0.000 0.969 396 D CA 1.228 55.271 54.000 0.072 0.000 0.842 396 D CB -0.132 40.708 40.800 0.068 0.000 0.957 396 D HN 0.372 nan 8.370 nan 0.000 0.484 397 D N 0.805 121.247 120.400 0.071 0.000 2.608 397 D HA 0.452 5.092 4.640 -0.000 0.000 0.224 397 D C -0.356 175.964 176.300 0.034 0.000 1.123 397 D CA 0.140 54.172 54.000 0.052 0.000 1.030 397 D CB 0.046 40.881 40.800 0.058 0.000 1.093 397 D HN 0.029 nan 8.370 nan 0.000 0.497 398 A N 0.202 123.014 122.820 -0.013 0.000 2.608 398 A HA 0.513 4.833 4.320 -0.000 0.000 0.292 398 A C -1.151 176.344 177.584 -0.147 0.000 1.066 398 A CA -0.771 51.197 52.037 -0.115 0.000 0.676 398 A CB 1.459 20.370 19.000 -0.149 0.000 1.277 398 A HN 0.375 nan 8.150 nan 0.000 0.413 399 C N 2.002 121.158 119.300 -0.241 0.000 2.329 399 C HA 0.782 5.242 4.460 -0.000 0.000 0.329 399 C C -0.730 174.118 174.990 -0.238 0.000 1.275 399 C CA -0.567 58.348 59.018 -0.172 0.000 1.726 399 C CB -0.931 26.708 27.740 -0.169 0.000 2.291 399 C HN 0.655 nan 8.230 nan 0.000 0.514 400 L N 6.343 127.483 121.223 -0.139 0.000 2.287 400 L HA 0.514 4.854 4.340 -0.000 0.000 0.287 400 L C -0.132 176.606 176.870 -0.221 0.000 1.022 400 L CA -0.108 54.596 54.840 -0.227 0.000 0.814 400 L CB 1.127 43.150 42.059 -0.060 0.000 1.217 400 L HN 0.648 nan 8.230 nan 0.000 0.420 401 Q N 3.186 122.721 119.800 -0.443 0.000 2.316 401 Q HA 0.532 4.872 4.340 -0.000 0.000 0.264 401 Q C -1.475 174.209 176.000 -0.526 0.000 0.987 401 Q CA -0.408 55.214 55.803 -0.302 0.000 0.852 401 Q CB 2.316 30.953 28.738 -0.168 0.000 1.287 401 Q HN 0.426 nan 8.270 nan 0.000 0.448 402 F N 1.194 121.118 119.950 -0.043 0.000 2.443 402 F HA 0.341 4.868 4.527 -0.000 0.000 0.369 402 F C 0.927 176.707 175.800 -0.033 0.000 1.090 402 F CA -0.681 57.292 58.000 -0.045 0.000 1.129 402 F CB 1.169 40.145 39.000 -0.039 0.000 1.367 402 F HN 0.748 nan 8.300 nan 0.000 0.465 403 G N 1.566 110.412 108.800 0.076 0.000 2.654 403 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.215 403 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.215 403 G C 1.795 176.744 174.900 0.081 0.000 1.310 403 G CA 0.665 45.803 45.100 0.062 0.000 0.866 403 G HN 0.731 nan 8.290 nan 0.000 0.558 404 G N 0.620 109.459 108.800 0.066 0.000 2.450 404 G HA2 0.048 4.008 3.960 -0.000 0.000 0.220 404 G HA3 0.048 4.008 3.960 -0.000 0.000 0.220 404 G C 1.672 176.606 174.900 0.057 0.000 1.130 404 G CA 1.353 46.506 45.100 0.088 0.000 0.760 404 G HN 0.720 nan 8.290 nan 0.000 0.557 405 G N -0.831 107.948 108.800 -0.036 0.000 2.708 405 G HA2 0.145 4.105 3.960 -0.000 0.000 0.210 405 G HA3 0.145 4.105 3.960 -0.000 0.000 0.210 405 G C 1.410 176.366 174.900 0.092 0.000 1.141 405 G CA 1.556 46.541 45.100 -0.191 0.000 0.788 405 G HN 0.419 nan 8.290 nan 0.000 0.531 406 T N 0.050 114.708 114.554 0.173 0.000 3.138 406 T HA 0.100 4.450 4.350 -0.000 0.000 0.245 406 T C 1.906 176.722 174.700 0.194 0.000 0.982 406 T CA -0.152 62.047 62.100 0.166 0.000 1.134 406 T CB -0.016 68.908 68.868 0.094 0.000 1.032 406 T HN 0.051 nan 8.240 nan 0.000 0.442 407 L N 1.584 122.901 121.223 0.156 0.000 2.610 407 L HA 0.282 4.622 4.340 -0.000 0.000 0.232 407 L C 2.131 179.119 176.870 0.197 0.000 1.149 407 L CA 0.779 55.700 54.840 0.135 0.000 0.872 407 L CB -0.165 41.940 42.059 0.076 0.000 0.992 407 L HN 0.371 nan 8.230 nan 0.000 0.447 408 G N -3.188 105.802 108.800 0.318 0.000 3.159 408 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.232 408 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.232 408 G C 0.474 175.596 174.900 0.369 0.000 1.116 408 G CA -0.307 45.029 45.100 0.394 0.000 0.767 408 G HN 0.254 nan 8.290 nan 0.000 0.547 409 H N 2.068 121.295 119.070 0.261 0.000 2.928 409 H HA 0.075 4.631 4.556 -0.000 0.000 0.338 409 H C -1.067 174.230 175.328 -0.053 0.000 1.047 409 H CA -0.970 55.088 56.048 0.016 0.000 1.435 409 H CB 2.022 31.805 29.762 0.036 0.000 1.428 409 H HN 0.012 nan 8.280 nan 0.000 0.590 410 P HA -0.140 nan 4.420 nan 0.000 0.221 410 P C 0.666 178.183 177.300 0.361 0.000 1.145 410 P CA 1.121 64.198 63.100 -0.039 0.000 0.795 410 P CB 0.093 31.665 31.700 -0.212 0.000 0.775 411 W N 0.126 121.597 121.300 0.285 0.000 3.220 411 W HA 0.508 5.168 4.660 -0.000 0.000 0.328 411 W C 1.104 177.671 176.519 0.079 0.000 1.205 411 W CA 0.437 57.879 57.345 0.162 0.000 1.773 411 W CB -0.568 28.981 29.460 0.149 0.000 1.086 411 W HN 0.051 nan 8.180 nan 0.000 0.622 412 G N 0.887 109.863 108.800 0.293 0.000 2.483 412 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.521 412 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.521 412 G C 0.596 175.529 174.900 0.056 0.000 1.278 412 G CA -0.180 45.004 45.100 0.139 0.000 0.965 412 G HN -0.049 nan 8.290 nan 0.000 0.504 413 N N -0.017 118.690 118.700 0.011 0.000 2.106 413 N HA 0.052 4.792 4.740 -0.000 0.000 0.188 413 N C 2.723 178.180 175.510 -0.089 0.000 1.029 413 N CA 2.520 55.552 53.050 -0.029 0.000 0.848 413 N CB -0.691 37.770 38.487 -0.043 0.000 1.007 413 N HN 1.061 nan 8.380 nan 0.000 0.423 414 A N 1.523 124.279 122.820 -0.106 0.000 1.858 414 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 414 A C -0.213 177.284 177.584 -0.144 0.000 1.190 414 A CA 1.385 53.343 52.037 -0.132 0.000 0.617 414 A CB -1.556 17.362 19.000 -0.137 0.000 0.827 414 A HN 0.220 nan 8.150 nan 0.000 0.443 415 P HA -0.078 nan 4.420 nan 0.000 0.217 415 P C 1.713 178.656 177.300 -0.595 0.000 1.150 415 P CA 1.659 64.599 63.100 -0.266 0.000 0.832 415 P CB -0.359 31.278 31.700 -0.104 0.000 0.787 416 G N 0.223 108.654 108.800 -0.616 0.000 2.418 416 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 416 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 416 G C 1.661 176.455 174.900 -0.178 0.000 1.158 416 G CA 0.993 45.871 45.100 -0.370 0.000 0.771 416 G HN 0.324 nan 8.290 nan 0.000 0.545 417 A N 1.135 123.865 122.820 -0.149 0.000 1.898 417 A HA 0.300 4.620 4.320 -0.000 0.000 0.216 417 A C 2.819 180.328 177.584 -0.126 0.000 1.181 417 A CA 2.225 54.193 52.037 -0.115 0.000 0.620 417 A CB -0.791 18.149 19.000 -0.099 0.000 0.819 417 A HN 0.790 nan 8.150 nan 0.000 0.442 418 A N -0.137 122.603 122.820 -0.135 0.000 1.933 418 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 418 A C 2.489 180.013 177.584 -0.099 0.000 1.175 418 A CA 2.011 53.988 52.037 -0.100 0.000 0.628 418 A CB -0.974 17.973 19.000 -0.088 0.000 0.814 418 A HN 1.032 nan 8.150 nan 0.000 0.444 419 A N 0.417 123.152 122.820 -0.141 0.000 1.877 419 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 419 A C 1.899 179.400 177.584 -0.139 0.000 1.186 419 A CA 1.893 53.862 52.037 -0.113 0.000 0.620 419 A CB -0.868 18.092 19.000 -0.067 0.000 0.822 419 A HN 0.706 nan 8.150 nan 0.000 0.443 420 N N -1.253 117.325 118.700 -0.203 0.000 2.188 420 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 420 N C 1.965 177.354 175.510 -0.202 0.000 1.018 420 N CA 1.288 54.134 53.050 -0.339 0.000 0.858 420 N CB -0.126 38.040 38.487 -0.535 0.000 0.989 420 N HN 0.432 nan 8.380 nan 0.000 0.426 421 R N 1.155 121.581 120.500 -0.123 0.000 2.066 421 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 421 R C 1.760 178.041 176.300 -0.032 0.000 1.131 421 R CA 1.043 57.105 56.100 -0.063 0.000 0.955 421 R CB -0.766 29.505 30.300 -0.048 0.000 0.851 421 R HN 0.001 nan 8.270 nan 0.000 0.432 422 V N 1.008 120.914 119.914 -0.013 0.000 2.287 422 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 422 V C 2.380 178.474 176.094 0.000 0.000 1.053 422 V CA 2.062 64.388 62.300 0.043 0.000 1.027 422 V CB -1.064 30.830 31.823 0.119 0.000 0.646 422 V HN 0.560 nan 8.190 nan 0.000 0.447 423 A N -0.153 122.637 122.820 -0.050 0.000 1.883 423 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 423 A C 2.190 179.752 177.584 -0.037 0.000 1.186 423 A CA 2.352 54.348 52.037 -0.070 0.000 0.624 423 A CB -0.686 18.237 19.000 -0.129 0.000 0.822 423 A HN 0.476 nan 8.150 nan 0.000 0.444 424 L N 0.048 121.251 121.223 -0.032 0.000 2.017 424 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 424 L C 2.201 179.075 176.870 0.006 0.000 1.073 424 L CA 2.562 57.406 54.840 0.007 0.000 0.745 424 L CB -0.700 41.370 42.059 0.019 0.000 0.894 424 L HN 0.531 nan 8.230 nan 0.000 0.432 425 E N -0.400 119.796 120.200 -0.006 0.000 2.106 425 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 425 E C 2.150 178.735 176.600 -0.026 0.000 0.984 425 E CA 1.011 57.404 56.400 -0.011 0.000 0.806 425 E CB -0.283 29.409 29.700 -0.012 0.000 0.750 425 E HN 0.679 nan 8.360 nan 0.000 0.458 426 A N 0.970 123.771 122.820 -0.032 0.000 1.877 426 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 426 A C 2.469 180.038 177.584 -0.026 0.000 1.186 426 A CA 1.256 53.264 52.037 -0.047 0.000 0.620 426 A CB -0.890 18.082 19.000 -0.046 0.000 0.822 426 A HN 0.351 nan 8.150 nan 0.000 0.443 427 C N -1.002 118.294 119.300 -0.007 0.000 2.429 427 C HA -0.086 4.374 4.460 -0.000 0.000 0.277 427 C C 3.053 178.052 174.990 0.015 0.000 1.262 427 C CA 1.556 60.581 59.018 0.013 0.000 1.733 427 C CB -1.556 26.204 27.740 0.033 0.000 2.010 427 C HN 0.654 nan 8.230 nan 0.000 0.483 428 T N 0.115 114.677 114.554 0.014 0.000 2.708 428 T HA -0.261 4.089 4.350 -0.000 0.000 0.266 428 T C 1.863 176.565 174.700 0.005 0.000 1.037 428 T CA 1.736 63.846 62.100 0.017 0.000 1.146 428 T CB -0.403 68.476 68.868 0.019 0.000 0.865 428 T HN 0.670 nan 8.240 nan 0.000 0.435 429 Q N 0.604 120.397 119.800 -0.011 0.000 2.050 429 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 429 Q C 2.526 178.515 176.000 -0.019 0.000 0.980 429 Q CA 1.523 57.313 55.803 -0.023 0.000 0.840 429 Q CB -0.305 28.404 28.738 -0.047 0.000 0.898 429 Q HN 0.539 nan 8.270 nan 0.000 0.424 430 A N 1.438 124.248 122.820 -0.016 0.000 1.877 430 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 430 A C 2.151 179.736 177.584 0.001 0.000 1.186 430 A CA 1.593 53.624 52.037 -0.010 0.000 0.620 430 A CB -0.766 18.231 19.000 -0.005 0.000 0.822 430 A HN 0.441 nan 8.150 nan 0.000 0.443 431 R N 0.146 120.651 120.500 0.008 0.000 2.083 431 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 431 R C 1.881 178.186 176.300 0.009 0.000 1.137 431 R CA 1.972 58.080 56.100 0.014 0.000 0.951 431 R CB -0.612 29.701 30.300 0.022 0.000 0.851 431 R HN 0.737 nan 8.270 nan 0.000 0.434 432 N N 0.071 118.775 118.700 0.007 0.000 2.205 432 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 432 N C 1.104 176.614 175.510 -0.000 0.000 1.015 432 N CA 1.192 54.245 53.050 0.004 0.000 0.862 432 N CB -0.023 38.466 38.487 0.003 0.000 0.986 432 N HN 0.451 nan 8.380 nan 0.000 0.429 433 E N -0.460 119.737 120.200 -0.004 0.000 2.481 433 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 433 E C 0.943 177.541 176.600 -0.003 0.000 1.047 433 E CA 0.134 56.530 56.400 -0.007 0.000 0.867 433 E CB 0.371 30.063 29.700 -0.013 0.000 0.858 433 E HN 0.466 nan 8.360 nan 0.000 0.513 434 G N 1.688 110.489 108.800 0.001 0.000 2.163 434 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.213 434 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.213 434 G C 0.131 175.034 174.900 0.005 0.000 0.991 434 G CA -0.512 44.590 45.100 0.003 0.000 0.653 434 G HN 0.048 nan 8.290 nan 0.000 0.518 435 R N 0.636 121.140 120.500 0.006 0.000 2.539 435 R HA 0.357 4.697 4.340 -0.000 0.000 0.275 435 R C -0.841 175.468 176.300 0.014 0.000 1.077 435 R CA -0.448 55.658 56.100 0.010 0.000 1.097 435 R CB 0.752 31.057 30.300 0.009 0.000 1.018 435 R HN 0.191 nan 8.270 nan 0.000 0.483 436 D N 3.091 123.501 120.400 0.016 0.000 2.347 436 D HA 0.072 4.712 4.640 -0.000 0.000 0.235 436 D C 0.998 177.314 176.300 0.026 0.000 1.149 436 D CA -0.199 53.812 54.000 0.019 0.000 0.850 436 D CB 0.880 41.690 40.800 0.016 0.000 1.061 436 D HN 0.411 nan 8.370 nan 0.000 0.487 437 L N 3.096 124.337 121.223 0.030 0.000 2.275 437 L HA -0.061 4.279 4.340 -0.000 0.000 0.215 437 L C 2.316 179.215 176.870 0.048 0.000 1.119 437 L CA 0.829 55.694 54.840 0.042 0.000 0.790 437 L CB -0.183 41.904 42.059 0.047 0.000 0.919 437 L HN 0.446 nan 8.230 nan 0.000 0.443 438 A N 0.117 122.959 122.820 0.037 0.000 2.015 438 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 438 A C 2.350 179.956 177.584 0.037 0.000 1.163 438 A CA 1.437 53.495 52.037 0.035 0.000 0.646 438 A CB -0.220 18.793 19.000 0.021 0.000 0.806 438 A HN 0.329 nan 8.150 nan 0.000 0.448 439 R N -1.256 119.265 120.500 0.034 0.000 2.221 439 R HA 0.168 4.508 4.340 -0.000 0.000 0.195 439 R C 1.113 177.437 176.300 0.040 0.000 0.956 439 R CA 0.802 56.922 56.100 0.032 0.000 1.064 439 R CB 0.247 30.561 30.300 0.024 0.000 1.049 439 R HN 0.512 nan 8.270 nan 0.000 0.534 440 E N -0.415 119.810 120.200 0.042 0.000 2.501 440 E HA 0.130 4.480 4.350 -0.000 0.000 0.201 440 E C 1.281 177.918 176.600 0.061 0.000 1.016 440 E CA 0.089 56.517 56.400 0.046 0.000 0.920 440 E CB 1.065 30.785 29.700 0.034 0.000 1.023 440 E HN 0.368 nan 8.360 nan 0.000 0.474 441 G N 1.494 110.338 108.800 0.073 0.000 2.446 441 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 441 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 441 G C 1.507 176.484 174.900 0.128 0.000 1.168 441 G CA 0.900 46.056 45.100 0.093 0.000 0.771 441 G HN 0.387 nan 8.290 nan 0.000 0.551 442 G N 0.662 109.557 108.800 0.159 0.000 2.440 442 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 442 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 442 G C 1.496 176.512 174.900 0.194 0.000 1.154 442 G CA 1.355 46.598 45.100 0.238 0.000 0.767 442 G HN 0.337 nan 8.290 nan 0.000 0.552 443 D N 0.152 120.623 120.400 0.120 0.000 2.117 443 D HA -0.085 4.555 4.640 -0.000 0.000 0.197 443 D C 2.806 179.145 176.300 0.065 0.000 0.987 443 D CA 0.756 54.809 54.000 0.087 0.000 0.829 443 D CB -0.406 40.430 40.800 0.060 0.000 0.961 443 D HN 0.211 nan 8.370 nan 0.000 0.460 444 V N 1.525 121.470 119.914 0.052 0.000 2.295 444 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 444 V C 2.485 178.580 176.094 0.003 0.000 1.049 444 V CA 1.022 63.336 62.300 0.023 0.000 1.024 444 V CB -0.253 31.582 31.823 0.019 0.000 0.648 444 V HN 0.176 nan 8.190 nan 0.000 0.447 445 I N -0.100 120.468 120.570 -0.004 0.000 2.226 445 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 445 I C 2.666 178.707 176.117 -0.126 0.000 1.100 445 I CA 1.622 62.847 61.300 -0.125 0.000 1.374 445 I CB -1.216 36.630 38.000 -0.256 0.000 1.057 445 I HN 0.316 nan 8.210 nan 0.000 0.413 446 R N 0.361 120.871 120.500 0.016 0.000 2.091 446 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 446 R C 2.451 178.783 176.300 0.053 0.000 1.136 446 R CA 1.765 57.911 56.100 0.076 0.000 0.959 446 R CB -0.287 30.113 30.300 0.166 0.000 0.856 446 R HN 0.302 nan 8.270 nan 0.000 0.437 447 S N 0.608 116.336 115.700 0.047 0.000 2.382 447 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 447 S C 2.007 176.653 174.600 0.076 0.000 1.027 447 S CA 1.238 59.469 58.200 0.052 0.000 0.991 447 S CB -0.092 63.123 63.200 0.026 0.000 0.823 447 S HN 0.475 nan 8.310 nan 0.000 0.469 448 A N 0.765 123.614 122.820 0.047 0.000 1.897 448 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 448 A C 2.367 180.017 177.584 0.110 0.000 1.181 448 A CA 1.282 53.378 52.037 0.099 0.000 0.620 448 A CB -1.169 17.848 19.000 0.028 0.000 0.821 448 A HN 0.650 nan 8.150 nan 0.000 0.443 449 c N -0.262 118.336 118.600 -0.005 0.000 2.422 449 c HA -0.053 4.517 4.570 -0.000 0.000 0.279 449 c C 2.531 176.635 174.090 0.024 0.000 1.305 449 c CA 1.093 57.401 56.329 -0.035 0.000 1.757 449 c CB -1.192 41.262 42.510 -0.093 0.000 1.962 449 c HN 0.580 nan 8.230 nan 0.000 0.499 450 K N -0.666 119.777 120.400 0.071 0.000 2.148 450 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 450 K C 1.816 178.492 176.600 0.127 0.000 1.050 450 K CA 1.535 57.874 56.287 0.088 0.000 0.942 450 K CB -0.148 32.410 32.500 0.096 0.000 0.724 450 K HN 0.743 nan 8.250 nan 0.000 0.446 451 W N 0.851 122.143 121.300 -0.013 0.000 2.494 451 W HA 0.091 4.751 4.660 -0.000 0.000 0.286 451 W C 0.499 177.016 176.519 -0.003 0.000 1.218 451 W CA 0.441 57.782 57.345 -0.007 0.000 1.313 451 W CB 0.295 29.747 29.460 -0.012 0.000 1.105 451 W HN -0.256 nan 8.180 nan 0.000 0.561 452 S N 0.896 116.503 115.700 -0.154 0.000 2.438 452 S HA 0.307 4.777 4.470 -0.000 0.000 0.316 452 S C -1.599 172.892 174.600 -0.181 0.000 1.084 452 S CA -1.582 56.402 58.200 -0.360 0.000 1.107 452 S CB 1.358 64.474 63.200 -0.139 0.000 0.981 452 S HN -0.141 nan 8.310 nan 0.000 0.466 453 P HA -0.035 nan 4.420 nan 0.000 0.217 453 P C 0.903 178.135 177.300 -0.114 0.000 1.150 453 P CA 0.961 64.059 63.100 -0.003 0.000 0.832 453 P CB 0.197 31.999 31.700 0.170 0.000 0.787 454 E N -0.505 119.637 120.200 -0.096 0.000 2.058 454 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 454 E C 1.864 178.351 176.600 -0.187 0.000 0.997 454 E CA 0.892 57.156 56.400 -0.227 0.000 0.801 454 E CB -1.284 28.352 29.700 -0.107 0.000 0.746 454 E HN 0.090 nan 8.360 nan 0.000 0.450 455 L N 0.495 121.636 121.223 -0.137 0.000 2.046 455 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 455 L C 2.049 178.814 176.870 -0.176 0.000 1.077 455 L CA 2.068 56.833 54.840 -0.125 0.000 0.747 455 L CB -1.010 40.995 42.059 -0.089 0.000 0.896 455 L HN 0.122 nan 8.230 nan 0.000 0.432 456 A N -0.404 122.316 122.820 -0.168 0.000 1.908 456 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 456 A C 2.469 179.914 177.584 -0.231 0.000 1.181 456 A CA 2.079 54.026 52.037 -0.150 0.000 0.627 456 A CB -1.219 17.727 19.000 -0.089 0.000 0.818 456 A HN 0.581 nan 8.150 nan 0.000 0.445 457 A N -0.284 122.292 122.820 -0.406 0.000 1.902 457 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 457 A C 2.506 179.683 177.584 -0.678 0.000 1.181 457 A CA 2.219 53.874 52.037 -0.637 0.000 0.623 457 A CB -0.989 17.243 19.000 -1.281 0.000 0.818 457 A HN 1.077 nan 8.150 nan 0.000 0.443 458 A N -0.872 121.618 122.820 -0.551 0.000 1.873 458 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 458 A C 2.310 179.796 177.584 -0.163 0.000 1.186 458 A CA 1.588 53.394 52.037 -0.385 0.000 0.616 458 A CB -1.345 17.687 19.000 0.054 0.000 0.823 458 A HN 0.616 nan 8.150 nan 0.000 0.442 459 c N -0.669 117.853 118.600 -0.129 0.000 2.398 459 c HA -0.135 4.434 4.570 -0.000 0.000 0.276 459 c C 2.670 176.927 174.090 0.277 0.000 1.222 459 c CA 1.279 57.642 56.329 0.056 0.000 1.746 459 c CB -1.193 41.254 42.510 -0.105 0.000 2.039 459 c HN 0.653 nan 8.230 nan 0.000 0.470 460 E N 0.513 120.710 120.200 -0.004 0.000 2.072 460 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 460 E C 2.214 178.719 176.600 -0.158 0.000 0.985 460 E CA 1.238 57.606 56.400 -0.053 0.000 0.801 460 E CB -0.053 29.576 29.700 -0.119 0.000 0.750 460 E HN 0.503 nan 8.360 nan 0.000 0.452 461 V N -0.042 119.643 119.914 -0.382 0.000 2.427 461 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 461 V C 1.510 177.304 176.094 -0.499 0.000 1.051 461 V CA 1.253 63.184 62.300 -0.615 0.000 1.048 461 V CB -0.307 30.809 31.823 -1.179 0.000 0.666 461 V HN 0.401 nan 8.190 nan 0.000 0.456 462 W N -0.544 120.693 121.300 -0.105 0.000 2.991 462 W HA 0.342 5.002 4.660 -0.000 0.000 0.391 462 W C 1.850 178.233 176.519 -0.225 0.000 1.054 462 W CA -0.965 56.225 57.345 -0.258 0.000 1.856 462 W CB -0.265 28.844 29.460 -0.586 0.000 1.132 462 W HN 0.248 nan 8.180 nan 0.000 0.601 463 K N 1.268 121.699 120.400 0.050 0.000 2.059 463 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 463 K C 1.250 177.644 176.600 -0.343 0.000 1.050 463 K CA 1.763 57.888 56.287 -0.270 0.000 0.927 463 K CB 0.249 32.650 32.500 -0.165 0.000 0.714 463 K HN -0.093 nan 8.250 nan 0.000 0.447 464 E N 0.290 120.384 120.200 -0.177 0.000 2.479 464 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 464 E C -0.060 176.472 176.600 -0.112 0.000 1.049 464 E CA 0.136 56.443 56.400 -0.154 0.000 0.870 464 E CB 0.357 29.988 29.700 -0.115 0.000 0.944 464 E HN 0.242 nan 8.360 nan 0.000 0.492 465 I N 2.053 122.586 120.570 -0.062 0.000 2.301 465 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 465 I C 0.361 176.488 176.117 0.018 0.000 1.046 465 I CA -0.068 61.211 61.300 -0.035 0.000 1.282 465 I CB 0.168 38.201 38.000 0.055 0.000 1.409 465 I HN -0.271 nan 8.210 nan 0.000 0.484 466 K N 5.536 125.817 120.400 -0.199 0.000 2.443 466 K HA 0.619 4.939 4.320 -0.000 0.000 0.251 466 K C -1.419 174.952 176.600 -0.382 0.000 0.972 466 K CA -0.590 55.630 56.287 -0.111 0.000 0.833 466 K CB 2.569 35.042 32.500 -0.045 0.000 1.317 466 K HN 0.159 nan 8.250 nan 0.000 0.441 467 F N 1.533 121.584 119.950 0.168 0.000 2.552 467 F HA 0.292 4.819 4.527 0.000 0.000 0.369 467 F C -0.488 175.394 175.800 0.136 0.000 1.112 467 F CA -0.537 57.583 58.000 0.200 0.000 1.129 467 F CB 1.434 40.580 39.000 0.244 0.000 1.360 467 F HN 0.294 nan 8.300 nan 0.000 0.473 468 E N 3.464 123.665 120.200 0.001 0.000 2.235 468 E HA 0.546 4.896 4.350 -0.000 0.000 0.252 468 E C -1.246 175.154 176.600 -0.333 0.000 0.886 468 E CA -0.426 55.935 56.400 -0.066 0.000 0.767 468 E CB 1.674 31.322 29.700 -0.087 0.000 1.205 468 E HN 0.305 nan 8.360 nan 0.000 0.421 469 F N 0.414 120.414 119.950 0.082 0.000 2.629 469 F HA 0.211 4.738 4.527 0.000 0.000 0.316 469 F C 0.122 175.953 175.800 0.053 0.000 1.081 469 F CA -1.201 56.839 58.000 0.066 0.000 0.954 469 F CB 1.419 40.464 39.000 0.076 0.000 1.337 469 F HN 0.228 nan 8.300 nan 0.000 0.474 470 D N 0.989 121.541 120.400 0.253 0.000 2.450 470 D HA 0.115 4.755 4.640 -0.000 0.000 0.247 470 D C -0.426 175.959 176.300 0.142 0.000 1.162 470 D CA 0.479 54.571 54.000 0.153 0.000 0.879 470 D CB 0.740 41.613 40.800 0.121 0.000 1.163 470 D HN 0.406 nan 8.370 nan 0.000 0.472 471 T N 5.706 120.326 114.554 0.110 0.000 2.851 471 T HA 0.100 4.450 4.350 -0.000 0.000 0.298 471 T C 1.446 176.193 174.700 0.079 0.000 0.977 471 T CA -0.733 61.424 62.100 0.095 0.000 1.126 471 T CB 0.792 69.713 68.868 0.088 0.000 0.916 471 T HN 0.290 nan 8.240 nan 0.000 0.529 472 I N 1.670 122.281 120.570 0.068 0.000 2.364 472 I HA 0.030 4.200 4.170 -0.000 0.000 0.241 472 I C 1.422 177.585 176.117 0.077 0.000 1.082 472 I CA 0.838 62.175 61.300 0.060 0.000 1.401 472 I CB -0.734 37.289 38.000 0.038 0.000 1.126 472 I HN 0.579 nan 8.210 nan 0.000 0.429 473 D N 2.797 123.250 120.400 0.088 0.000 2.600 473 D HA 0.050 4.690 4.640 -0.000 0.000 0.226 473 D C 0.092 176.481 176.300 0.149 0.000 1.119 473 D CA 0.203 54.280 54.000 0.129 0.000 1.051 473 D CB -0.263 40.618 40.800 0.134 0.000 1.106 473 D HN 0.058 nan 8.370 nan 0.000 0.491 474 K N 1.588 122.060 120.400 0.120 0.000 2.118 474 K HA 0.348 4.668 4.320 -0.000 0.000 0.264 474 K C 0.585 177.251 176.600 0.111 0.000 1.000 474 K CA -0.811 55.538 56.287 0.103 0.000 0.929 474 K CB 1.320 33.864 32.500 0.075 0.000 1.021 474 K HN 0.277 nan 8.250 nan 0.000 0.463 475 L N 0.000 121.276 121.223 0.088 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 475 L CA 0.000 54.882 54.840 0.070 0.000 0.813 475 L CB 0.000 42.078 42.059 0.031 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502